2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile

C14H15F3N2O — CID 107104720

IUPAC2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile
SMILESN#CC(NC1CCCC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)20-12-7-3-4-10(8-12)13(9-18)19-11-5-1-2-6-11/h3-4,7-8,11,13,19H,1-2,5-6H2
InChIKeyKFRIXVZVPCJUMM-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.68
Rot. Bonds4

About 2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile

2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile (PubChem CID 107104720) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile
PubChem CID107104720
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile
SMILESN#CC(NC1CCCC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)20-12-7-3-4-10(8-12)13(9-18)19-11-5-1-2-6-11/h3-4,7-8,11,13,19H,1-2,5-6H2
InChIKeyKFRIXVZVPCJUMM-UHFFFAOYSA-N
XLogP3.68
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexylamino)-2-(3-ethoxyphenyl)acetonitrile
CID 54894477
2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210573
2-(propan-2-ylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 107104701
2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile
CID 55079116
2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile
CID 79984503
2-(2-methoxyethylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 107104728
2-pyrrolidin-1-yl-2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 107105039
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933
[2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105305199
2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile
CID 54894364
2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 115854106
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096774

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile?
The IUPAC name of 2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile (CID 107104720) is 2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile?
The canonical SMILES for 2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile is N#CC(NC1CCCC1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile?
The InChIKey is KFRIXVZVPCJUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)20-12-7-3-4-10(8-12)13(9-18)19-11-5-1-2-6-11/h3-4,7-8,11,13,19H,1-2,5-6H2.
What are the key properties of 2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile?
2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile has a molecular weight of 284.28 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile is sourced from PubChem (CID 107104720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).