2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile

C15H12F2N2 — CID 82019759

IUPAC2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile
SMILESN#CC(NCc1ccccc1F)c1ccccc1F
InChIInChI=1S/C15H12F2N2/c16-13-7-3-1-5-11(13)10-19-15(9-18)12-6-2-4-8-14(12)17/h1-8,15,19H,10H2
InChIKeyPGVRBRBVPGKHBP-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.32
Rot. Bonds4

About 2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile

2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile (PubChem CID 82019759) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile
PubChem CID82019759
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile
SMILESN#CC(NCc1ccccc1F)c1ccccc1F
InChIInChI=1S/C15H12F2N2/c16-13-7-3-1-5-11(13)10-19-15(9-18)12-6-2-4-8-14(12)17/h1-8,15,19H,10H2
InChIKeyPGVRBRBVPGKHBP-UHFFFAOYSA-N
XLogP3.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62354655
2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile
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(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile
CID 28520327
2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile
CID 82019839
2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile
CID 54889234
2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile
CID 59412400
(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide
CID 95617372
2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile
CID 54886867
2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile
CID 63668597
2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 103912410
2-[(2-fluorophenyl)methylamino]acetonitrile
CID 28582566
2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile
CID 82019693

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile?
The IUPAC name of 2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile (CID 82019759) is 2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile is N#CC(NCc1ccccc1F)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile?
The InChIKey is PGVRBRBVPGKHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c16-13-7-3-1-5-11(13)10-19-15(9-18)12-6-2-4-8-14(12)17/h1-8,15,19H,10H2.
What are the key properties of 2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile?
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile has a molecular weight of 258.27 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile is sourced from PubChem (CID 82019759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).