2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile

C12H12F2N2 — CID 84598890

IUPAC2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile
SMILESN#CCNC(c1cc(F)ccc1F)C1CC1
InChIInChI=1S/C12H12F2N2/c13-9-3-4-11(14)10(7-9)12(8-1-2-8)16-6-5-15/h3-4,7-8,12,16H,1-2,6H2
InChIKeyRMNCPBDEAHRPGP-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.53
Rot. Bonds4

About 2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile

2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile (PubChem CID 84598890) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile
PubChem CID84598890
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile
SMILESN#CCNC(c1cc(F)ccc1F)C1CC1
InChIInChI=1S/C12H12F2N2/c13-9-3-4-11(14)10(7-9)12(8-1-2-8)16-6-5-15/h3-4,7-8,12,16H,1-2,6H2
InChIKeyRMNCPBDEAHRPGP-UHFFFAOYSA-N
XLogP2.53
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]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

N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553
N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62907060
4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 116957012
[(2,5-difluorophenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210581
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62791719
N-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine
CID 84589355
[cyclooctyl-(2,5-difluorophenyl)methyl]hydrazine
CID 105255093
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 62789509
2-cyclopropyl-1-(2,5-difluorophenyl)-N-ethylpropan-1-amine
CID 83153802
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile?
The IUPAC name of 2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile (CID 84598890) is 2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile.
What is the SMILES notation for 2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile?
The canonical SMILES for 2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile is N#CCNC(c1cc(F)ccc1F)C1CC1.
What is the InChIKey of 2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile?
The InChIKey is RMNCPBDEAHRPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c13-9-3-4-11(14)10(7-9)12(8-1-2-8)16-6-5-15/h3-4,7-8,12,16H,1-2,6H2.
What are the key properties of 2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile?
2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile has a molecular weight of 222.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile is sourced from PubChem (CID 84598890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).