2-amino-2-(2,5-difluorophenyl)propanenitrile

C9H8F2N2 — CID 16785195

IUPAC2-amino-2-(2,5-difluorophenyl)propanenitrile
SMILESCC(N)(C#N)c1cc(F)ccc1F
InChIInChI=1S/C9H8F2N2/c1-9(13,5-12)7-4-6(10)2-3-8(7)11/h2-4H,13H2,1H3
InChIKeyFDHNTWFBXPKEIO-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.66
Rot. Bonds1

About 2-amino-2-(2,5-difluorophenyl)propanenitrile

2-amino-2-(2,5-difluorophenyl)propanenitrile (PubChem CID 16785195) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-amino-2-(2,5-difluorophenyl)propanenitrile.

Molecular Properties

Compound Name2-amino-2-(2,5-difluorophenyl)propanenitrile
PubChem CID16785195
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name2-amino-2-(2,5-difluorophenyl)propanenitrile
SMILESCC(N)(C#N)c1cc(F)ccc1F
InChIInChI=1S/C9H8F2N2/c1-9(13,5-12)7-4-6(10)2-3-8(7)11/h2-4H,13H2,1H3
InChIKeyFDHNTWFBXPKEIO-UHFFFAOYSA-N
XLogP1.66
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,5-difluorophenyl)propanenitrile?
The IUPAC name of 2-amino-2-(2,5-difluorophenyl)propanenitrile (CID 16785195) is 2-amino-2-(2,5-difluorophenyl)propanenitrile.
What is the SMILES notation for 2-amino-2-(2,5-difluorophenyl)propanenitrile?
The canonical SMILES for 2-amino-2-(2,5-difluorophenyl)propanenitrile is CC(N)(C#N)c1cc(F)ccc1F.
What is the InChIKey of 2-amino-2-(2,5-difluorophenyl)propanenitrile?
The InChIKey is FDHNTWFBXPKEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2/c1-9(13,5-12)7-4-6(10)2-3-8(7)11/h2-4H,13H2,1H3.
What are the key properties of 2-amino-2-(2,5-difluorophenyl)propanenitrile?
2-amino-2-(2,5-difluorophenyl)propanenitrile has a molecular weight of 182.17 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,5-difluorophenyl)propanenitrile is sourced from PubChem (CID 16785195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).