(2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile

C13H14ClN — CID 27137488

IUPAC(2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile
SMILESN#C[C@@H](c1ccccc1Cl)C1CCCC1
InChIInChI=1S/C13H14ClN/c14-13-8-4-3-7-11(13)12(9-15)10-5-1-2-6-10/h3-4,7-8,10,12H,1-2,5-6H2/t12-/m1/s1
InChIKeyVKTVFZCGVHNBCB-GFCCVEGCSA-N
MW219.72 g/mol
LogP4.14
Rot. Bonds2

About (2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile

(2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile (PubChem CID 27137488) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile
PubChem CID27137488
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC Name(2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile
SMILESN#C[C@@H](c1ccccc1Cl)C1CCCC1
InChIInChI=1S/C13H14ClN/c14-13-8-4-3-7-11(13)12(9-15)10-5-1-2-6-10/h3-4,7-8,10,12H,1-2,5-6H2/t12-/m1/s1
InChIKeyVKTVFZCGVHNBCB-GFCCVEGCSA-N
XLogP4.14
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile
CID 82931142
2-cyclohexyl-2-(2-methylphenyl)acetonitrile
CID 79019577
1-chloro-2-[chloro(cyclohexyl)methyl]benzene
CID 86209125
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
(2S)-2-cyclohexyl-2-phenylacetonitrile
CID 6992167
2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile
CID 79019427
2-(4-chlorophenyl)-2-cyclohexylacetonitrile
CID 12603992
2-(2-chlorophenyl)-2-cyclobutylethanamine
CID 83688611
[(2-chlorophenyl)-cyclopentylmethyl]hydrazine
CID 91756387
N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide
CID 124606737
2-(2-chlorophenyl)-2-cyclohexylacetaldehyde
CID 105498571

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile (CID 27137488) is (2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile is N#C[C@@H](c1ccccc1Cl)C1CCCC1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile?
The InChIKey is VKTVFZCGVHNBCB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14ClN/c14-13-8-4-3-7-11(13)12(9-15)10-5-1-2-6-10/h3-4,7-8,10,12H,1-2,5-6H2/t12-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile?
(2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile has a molecular weight of 219.72 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile is sourced from PubChem (CID 27137488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).