2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile

C12H14F2N2 — CID 116789388

IUPAC2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile
SMILESCC(C#N)N(C)CC(F)(F)c1ccccc1
InChIInChI=1S/C12H14F2N2/c1-10(8-15)16(2)9-12(13,14)11-6-4-3-5-7-11/h3-7,10H,9H2,1-2H3
InChIKeyWLIGLYFGRDGYPQ-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.62
Rot. Bonds4

About 2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile

2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile (PubChem CID 116789388) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile.

Molecular Properties

Compound Name2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile
PubChem CID116789388
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile
SMILESCC(C#N)N(C)CC(F)(F)c1ccccc1
InChIInChI=1S/C12H14F2N2/c1-10(8-15)16(2)9-12(13,14)11-6-4-3-5-7-11/h3-7,10H,9H2,1-2H3
InChIKeyWLIGLYFGRDGYPQ-UHFFFAOYSA-N
XLogP2.62
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine
CID 116790603
1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine
CID 116790609
1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 116790104
N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 116789654
4,4-difluoro-4-phenylbutanenitrile
CID 116840833
2-[(2-chlorophenyl)methyl-methylamino]propanenitrile
CID 60646463
2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide
CID 116789418
2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60646378
2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile
CID 60670408
2-[methyl(1H-pyrrol-2-ylmethyl)amino]propanenitrile
CID 115130274
2-(N-methyl-4-phenylanilino)propanenitrile
CID 115129991
2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile
CID 115130271

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile?
The IUPAC name of 2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile (CID 116789388) is 2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile.
What is the SMILES notation for 2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile?
The canonical SMILES for 2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile is CC(C#N)N(C)CC(F)(F)c1ccccc1.
What is the InChIKey of 2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile?
The InChIKey is WLIGLYFGRDGYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2/c1-10(8-15)16(2)9-12(13,14)11-6-4-3-5-7-11/h3-7,10H,9H2,1-2H3.
What are the key properties of 2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile?
2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile has a molecular weight of 224.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile is sourced from PubChem (CID 116789388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).