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1-[3-(Trifluoromethyl)phenyl]cyclopentanecarbonitrile

1-[3-(Trifluoromethyl)phenyl]cyclopentanecarbonitrile - CAS 1152590-54-9

Catalog:	BB003528
Product Name:	1-[3-(Trifluoromethyl)phenyl]cyclopentanecarbonitrile
CAS:	1152590-54-9
Synonyms:	1-[3-(trifluoromethyl)phenyl]-1-cyclopentanecarbonitrile; 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile
Description:	1-[3-(Trifluoromethyl)phenyl]cyclopentanecarbonitrile (CAS# 1152590-54-9 ) is a useful research chemical.
Molecular Weight:	239.24
Molecular Formula:	C13H12F3N
Canonical SMILES:	C1CCC(C1)(C#N)C2=CC(=CC=C2)C(F)(F)F
InChI:	InChI=1S/C13H12F3N/c14-13(15,16)11-5-3-4-10(8-11)12(9-17)6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChI Key:	PPWAFEUEQXZITI-UHFFFAOYSA-N

Publication Number	Title	Priority Date
AU-2014204889-A1	Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease	20130108
CA-2894642-A1	Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease	20130108
CN-104918942-A	Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease	20130108
EP-2943495-A1	Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease	20130108
EP-2943495-B1	Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease	20130108

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Related Functional Groups

Nitrogen Compounds

[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[5071-96-5]
3-Methoxybenzylamine
[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole

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Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.09218387
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.09218387
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9