2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile

C14H16F2N2 — CID 54893948

IUPAC2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile
SMILESN#CC(NC1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H16F2N2/c15-10-6-7-12(13(16)8-10)14(9-17)18-11-4-2-1-3-5-11/h6-8,11,14,18H,1-5H2
InChIKeyTXDRZDIPFTXKCY-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.45
Rot. Bonds3

About 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile

2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile (PubChem CID 54893948) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile
PubChem CID54893948
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Name2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile
SMILESN#CC(NC1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H16F2N2/c15-10-6-7-12(13(16)8-10)14(9-17)18-11-4-2-1-3-5-11/h6-8,11,14,18H,1-5H2
InChIKeyTXDRZDIPFTXKCY-UHFFFAOYSA-N
XLogP3.45
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile
CID 54894227
2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
CID 54894619
2-(cyclopentylamino)-2-(2,4,5-trifluorophenyl)acetonitrile
CID 114058035
2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile
CID 84817397
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile
CID 114054084
2-(cycloheptylamino)-2-(3,4,5-trifluorophenyl)acetonitrile
CID 63078021
2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile
CID 84816951
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid
CID 54892642
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetamide
CID 54894291
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933
2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile
CID 43151679

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile?
The IUPAC name of 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile (CID 54893948) is 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile.
What is the SMILES notation for 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile?
The canonical SMILES for 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile is N#CC(NC1CCCCC1)c1ccc(F)cc1F.
What is the InChIKey of 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile?
The InChIKey is TXDRZDIPFTXKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2/c15-10-6-7-12(13(16)8-10)14(9-17)18-11-4-2-1-3-5-11/h6-8,11,14,18H,1-5H2.
What are the key properties of 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile?
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile has a molecular weight of 250.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile is sourced from PubChem (CID 54893948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).