2,2-Difluoro-2-(4-fluorophenyl)acetic Acid - CAS 94010-78-3

Catalog:	BB041170
Product Name:	2,2-Difluoro-2-(4-fluorophenyl)acetic Acid
CAS:	94010-78-3
Synonyms:	2,2-difluoro-2-(4-fluorophenyl)acetic acid; 2,2-difluoro-2-(4-fluorophenyl)acetic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	2,2-difluoro-2-(4-fluorophenyl)acetic acid
Description:	2,2-Difluoro-2-(4-fluorophenyl)acetic Acid (CAS# 94010-78-3) is a compound useful in organic synthesis.
Molecular Weight:	190.12
Molecular Formula:	C8H5F3O2
Canonical SMILES:	C1=CC(=CC=C1C(C(=O)O)(F)F)F
InChI:	InChI=1S/C8H5F3O2/c9-6-3-1-5(2-4-6)8(10,11)7(12)13/h1-4H,(H,12,13)
InChI Key:	POBKFWBINPQWMW-UHFFFAOYSA-N
MDL:	MFCD11167795
LogP:	2.00210

Publication Number	Title	Priority Date
TW-201837031-A	Protein-targeting compound, composition, method and use thereof	20170314
US-10406165-B2	Compounds targeting proteins, compositions, methods, and uses thereof	20170314
US-2018264000-A1	Compounds targeting proteins, compositions, methods, and uses thereof	20170314
US-2019365775-A1	Compounds targeting proteins, compositions, methods, and uses thereof	20170314
WO-2018169777-A1	Compounds targeting proteins, compositions, methods, and uses thereof	20170314

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Related Functional Groups

Carbonyl Compounds

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[17746-05-3]
Undecanoyl chloride
[70199-62-1]
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[55441-25-3]
1-(2-Cyanophenyl)urea

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.02416388
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.02416388
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2