2-cyclohexyl-2-(3,4-dichlorophenyl)acetonitrile

C14H15Cl2N — CID 10084369

IUPAC2-cyclohexyl-2-(3,4-dichlorophenyl)acetonitrile
SMILESN#CC(c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C14H15Cl2N/c15-13-7-6-11(8-14(13)16)12(9-17)10-4-2-1-3-5-10/h6-8,10,12H,1-5H2
InChIKeyHAXWFRNRCIQCDM-UHFFFAOYSA-N
MW268.19 g/mol
LogP5.18
Rot. Bonds2

About 2-cyclohexyl-2-(3,4-dichlorophenyl)acetonitrile

2-cyclohexyl-2-(3,4-dichlorophenyl)acetonitrile (PubChem CID 10084369) has the molecular formula C14H15Cl2N and a molecular weight of 268.19 g/mol. Its IUPAC name is 2-cyclohexyl-2-(3,4-dichlorophenyl)acetonitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-(3,4-dichlorophenyl)acetonitrile
PubChem CID10084369
Molecular FormulaC14H15Cl2N
Molecular Weight268.19 g/mol
Exact Mass267.06
IUPAC Name2-cyclohexyl-2-(3,4-dichlorophenyl)acetonitrile
SMILESN#CC(c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C14H15Cl2N/c15-13-7-6-11(8-14(13)16)12(9-17)10-4-2-1-3-5-10/h6-8,10,12H,1-5H2
InChIKeyHAXWFRNRCIQCDM-UHFFFAOYSA-N
XLogP5.18
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.19
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(3,4-dichlorophenyl)acetonitrile?
The IUPAC name of 2-cyclohexyl-2-(3,4-dichlorophenyl)acetonitrile (CID 10084369) is 2-cyclohexyl-2-(3,4-dichlorophenyl)acetonitrile.
What is the SMILES notation for 2-cyclohexyl-2-(3,4-dichlorophenyl)acetonitrile?
The canonical SMILES for 2-cyclohexyl-2-(3,4-dichlorophenyl)acetonitrile is N#CC(c1ccc(Cl)c(Cl)c1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(3,4-dichlorophenyl)acetonitrile?
The InChIKey is HAXWFRNRCIQCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N/c15-13-7-6-11(8-14(13)16)12(9-17)10-4-2-1-3-5-10/h6-8,10,12H,1-5H2.
What are the key properties of 2-cyclohexyl-2-(3,4-dichlorophenyl)acetonitrile?
2-cyclohexyl-2-(3,4-dichlorophenyl)acetonitrile has a molecular weight of 268.19 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(3,4-dichlorophenyl)acetonitrile is sourced from PubChem (CID 10084369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).