2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile

C15H17ClFN — CID 82931142

IUPAC2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile
SMILESN#CC(c1ccc(F)cc1Cl)C1CCCCCC1
InChIInChI=1S/C15H17ClFN/c16-15-9-12(17)7-8-13(15)14(10-18)11-5-3-1-2-4-6-11/h7-9,11,14H,1-6H2
InChIKeyGFYXVBCVEXRMNO-UHFFFAOYSA-N
MW265.76 g/mol
LogP5.06
Rot. Bonds2

About 2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile

2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile (PubChem CID 82931142) has the molecular formula C15H17ClFN and a molecular weight of 265.76 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile
PubChem CID82931142
Molecular FormulaC15H17ClFN
Molecular Weight265.76 g/mol
Exact Mass265.10
IUPAC Name2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile
SMILESN#CC(c1ccc(F)cc1Cl)C1CCCCCC1
InChIInChI=1S/C15H17ClFN/c16-15-9-12(17)7-8-13(15)14(10-18)11-5-3-1-2-4-6-11/h7-9,11,14H,1-6H2
InChIKeyGFYXVBCVEXRMNO-UHFFFAOYSA-N
XLogP5.06
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.76
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile
CID 27137488
2-(2-chloro-4-fluorophenyl)-3-cyclooctyl-3-oxopropanenitrile
CID 65018870
2-(2-chloro-4-fluorophenyl)-4-cyclobutyl-3-oxobutanenitrile
CID 103163928
1-[(S)-(2-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164424
(2-chloro-4-fluorophenyl)-cyclopropylmethanol
CID 58392404
2-(4-chlorophenyl)-2-cyclohexylacetonitrile
CID 12603992
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile
CID 54893948
2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile
CID 79019427
2-cyclohexyl-2-(2-methylphenyl)acetonitrile
CID 79019577
2-[3-chloro-4-(1-cyclohexyl-3,3-dihydroxypropyl)phenyl]propanenitrile
CID 57140261
2-cyclopropyl-2-(4-fluorophenyl)acetonitrile
CID 55270127

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile (CID 82931142) is 2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile is N#CC(c1ccc(F)cc1Cl)C1CCCCCC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile?
The InChIKey is GFYXVBCVEXRMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN/c16-15-9-12(17)7-8-13(15)14(10-18)11-5-3-1-2-4-6-11/h7-9,11,14H,1-6H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile?
2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile has a molecular weight of 265.76 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile is sourced from PubChem (CID 82931142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).