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3,3,3-Trifluoropropyl Trifluoromethanesulfonate

3,3,3-Trifluoropropyl Trifluoromethanesulfonate - CAS 120097-63-4

Catalog:	BB004710
Product Name:	3,3,3-Trifluoropropyl Trifluoromethanesulfonate
CAS:	120097-63-4
Synonyms:	trifluoromethanesulfonic acid 3,3,3-trifluoropropyl ester; 3,3,3-trifluoropropyl trifluoromethanesulfonate

Technical Data

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Computed Properties

IUPAC Name:	3,3,3-trifluoropropyl trifluoromethanesulfonate
Description:	3,3,3-Trifluoropropyl Trifluoromethanesulfonate (CAS# 120097-63-4) is a useful research chemical.
Molecular Weight:	246.13
Molecular Formula:	C4H4F6O3S
Canonical SMILES:	C(COS(=O)(=O)C(F)(F)F)C(F)(F)F
InChI:	InChI=1S/C4H4F6O3S/c5-3(6,7)1-2-13-14(11,12)4(8,9)10/h1-2H2
InChI Key:	CFROLHNCACAAOW-UHFFFAOYSA-N
LogP:	2.88580

Publication Number	Title	Priority Date
CN-113072546-A	Five-membered heteroaromatic derivative and preparation method and application thereof	20200106
US-2021171529-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
WO-2021108404-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
WO-2021064677-A1	Inhibitors of human immunodeficiency virus replication	20191004
WO-2021064571-A1	N-substituted-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl derivatives as inhibitors of the human immunodeficiency virus replication	20191001

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Related Functional Groups

Carbonyl Compounds

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[253429-30-0]
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[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde
[4313-03-5]
2,4-Heptadienal

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.97853413
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.97853413
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3