2-fluoro-2-(2-fluorophenyl)acetonitrile

C8H5F2N — CID 53400325

IUPAC2-fluoro-2-(2-fluorophenyl)acetonitrile
SMILESN#CC(F)c1ccccc1F
InChIInChI=1S/C8H5F2N/c9-7-4-2-1-3-6(7)8(10)5-11/h1-4,8H
InChIKeyYDEMRLHOPYXTOT-UHFFFAOYSA-N
MW153.13 g/mol
LogP2.36
Rot. Bonds1

About 2-fluoro-2-(2-fluorophenyl)acetonitrile

2-fluoro-2-(2-fluorophenyl)acetonitrile (PubChem CID 53400325) has the molecular formula C8H5F2N and a molecular weight of 153.13 g/mol. Its IUPAC name is 2-fluoro-2-(2-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-fluoro-2-(2-fluorophenyl)acetonitrile
PubChem CID53400325
Molecular FormulaC8H5F2N
Molecular Weight153.13 g/mol
Exact Mass153.04
IUPAC Name2-fluoro-2-(2-fluorophenyl)acetonitrile
SMILESN#CC(F)c1ccccc1F
InChIInChI=1S/C8H5F2N/c9-7-4-2-1-3-6(7)8(10)5-11/h1-4,8H
InChIKeyYDEMRLHOPYXTOT-UHFFFAOYSA-N
XLogP2.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-2-(2-fluorophenyl)propanenitrile
CID 79560257
(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile
CID 28520327
2-(2-fluorophenyl)-2-isocyanatoacetonitrile
CID 82884776
2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile
CID 59412400
(3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride
CID 171260293
1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 22565374
bis(2-fluorophenyl)methanol
CID 18424663
2-bromo-2-(2,3-difluorophenyl)acetonitrile
CID 83086922
[2,2-difluoro-1-(2-fluorophenyl)ethyl]hydrazine
CID 105265053
1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
CID 126565772
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile
CID 82019759
2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile
CID 121209842

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-fluorophenyl)acetonitrile?
The IUPAC name of 2-fluoro-2-(2-fluorophenyl)acetonitrile (CID 53400325) is 2-fluoro-2-(2-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-fluoro-2-(2-fluorophenyl)acetonitrile?
The canonical SMILES for 2-fluoro-2-(2-fluorophenyl)acetonitrile is N#CC(F)c1ccccc1F.
What is the InChIKey of 2-fluoro-2-(2-fluorophenyl)acetonitrile?
The InChIKey is YDEMRLHOPYXTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N/c9-7-4-2-1-3-6(7)8(10)5-11/h1-4,8H.
What are the key properties of 2-fluoro-2-(2-fluorophenyl)acetonitrile?
2-fluoro-2-(2-fluorophenyl)acetonitrile has a molecular weight of 153.13 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-fluorophenyl)acetonitrile is sourced from PubChem (CID 53400325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).