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1-[4-(Trifluoromethoxy)phenyl]cyclopropanecarbonitrile

1-[4-(Trifluoromethoxy)phenyl]cyclopropanecarbonitrile - CAS 173859-39-7

Catalog:	BB012965
Product Name:	1-[4-(Trifluoromethoxy)phenyl]cyclopropanecarbonitrile
CAS:	173859-39-7
Synonyms:	1-[4-(trifluoromethoxy)phenyl]-1-cyclopropanecarbonitrile; 1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbonitrile
Description:	1-[4-(Trifluoromethoxy)phenyl]cyclopropanecarbonitrile (CAS# 173859-39-7 ) is a useful research chemical.
Molecular Weight:	227.18
Molecular Formula:	C11H8F3NO
Canonical SMILES:	C1CC1(C#N)C2=CC=C(C=C2)OC(F)(F)F
InChI:	InChI=1S/C11H8F3NO/c12-11(13,14)16-9-3-1-8(2-4-9)10(7-15)5-6-10/h1-4H,5-6H2
InChI Key:	FHRNEMBCAKCEAT-UHFFFAOYSA-N
Boiling Point:	273.3 °C at 760 mmHg
LogP:	3.14038

Publication Number	Title	Priority Date
WO-2021130492-A1	Carboxy derivatives with antiinflammatory properties	20191223
EP-3811945-A1	Compounds for treating and preventing growth hormone receptor-dependent conditions	20191025
WO-2021078995-A1	Selective polypeptide synthesis stalling assay and compound	20191025
WO-2010091164-A1	Inhibitors of glucosylceramide synthase	20090206
AU-2008232683-A1	Quinoline derivatives and pharmaceutical compositions comprising them for selectin inhibition	20070330

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

Complexity:	305
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.05579836
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	227.05579836
Rotatable Bond Count:	2
Topological Polar Surface Area:	33
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1