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alpha,alpha-Difluoro-1-naphthaleneacetic Acid

alpha,alpha-Difluoro-1-naphthaleneacetic Acid - CAS 73790-14-4

Catalog:	BB034924
Product Name:	alpha,alpha-Difluoro-1-naphthaleneacetic Acid
CAS:	73790-14-4
Synonyms:	2,2-difluoro-2-(1-naphthalenyl)acetic acid; 2,2-difluoro-2-naphthalen-1-ylacetic acid

Technical Data

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Computed Properties

IUPAC Name:	2,2-difluoro-2-naphthalen-1-ylacetic acid
Description:	alpha,alpha-Difluoro-1-naphthaleneacetic Acid (CAS# 73790-14-4 ) is a useful research chemical.
Molecular Weight:	222.19
Molecular Formula:	C12H8F2O2
Canonical SMILES:	C1=CC=C2C(=C1)C=CC=C2C(C(=O)O)(F)F
InChI:	InChI=1S/C12H8F2O2/c13-12(14,11(15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,15,16)
InChI Key:	TXILYIHFGBMXDH-UHFFFAOYSA-N
LogP:	3.01620

Publication Number	Title	Priority Date
WO-2020048829-A1	3,9-diazaspiro[5.5]undecane compounds	20180903
TW-202024083-A	3,9-diazaspiro[5.5]undecane compounds	20180903
US-6034266-A	Gem-difluoro derivative of phenylacetamide and phenylacetic acid and their pharmaceutical uses	19960311

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
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[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	278
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.04923582
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.04923582
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4