2-(3,4-difluorophenyl)-2-methylpropanenitrile

C10H9F2N — CID 55264652

IUPAC2-(3,4-difluorophenyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2N/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5H,1-2H3
InChIKeyVDWLNFKRCLDVEX-UHFFFAOYSA-N
MW181.18 g/mol
LogP2.77
Rot. Bonds1

About 2-(3,4-difluorophenyl)-2-methylpropanenitrile

2-(3,4-difluorophenyl)-2-methylpropanenitrile (PubChem CID 55264652) has the molecular formula C10H9F2N and a molecular weight of 181.18 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-methylpropanenitrile
PubChem CID55264652
Molecular FormulaC10H9F2N
Molecular Weight181.18 g/mol
Exact Mass181.07
IUPAC Name2-(3,4-difluorophenyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2N/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5H,1-2H3
InChIKeyVDWLNFKRCLDVEX-UHFFFAOYSA-N
XLogP2.77
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-methylpropanenitrile?
The IUPAC name of 2-(3,4-difluorophenyl)-2-methylpropanenitrile (CID 55264652) is 2-(3,4-difluorophenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-methylpropanenitrile is CC(C)(C#N)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-methylpropanenitrile?
The InChIKey is VDWLNFKRCLDVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5H,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-methylpropanenitrile?
2-(3,4-difluorophenyl)-2-methylpropanenitrile has a molecular weight of 181.18 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-methylpropanenitrile is sourced from PubChem (CID 55264652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).