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

C14H11F2NO — CID 117048609

IUPAC2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile
SMILESCC(C#N)(Cc1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C14H11F2NO/c1-14(9-17,8-11-3-2-6-18-11)12-5-4-10(15)7-13(12)16/h2-7H,8H2,1H3
InChIKeyKYOSCKUUPAFASS-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.58
Rot. Bonds3

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

2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile (PubChem CID 117048609) has the molecular formula C14H11F2NO and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile
PubChem CID117048609
Molecular FormulaC14H11F2NO
Molecular Weight247.24 g/mol
Exact Mass247.08
IUPAC Name2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile
SMILESCC(C#N)(Cc1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C14H11F2NO/c1-14(9-17,8-11-3-2-6-18-11)12-5-4-10(15)7-13(12)16/h2-7H,8H2,1H3
InChIKeyKYOSCKUUPAFASS-UHFFFAOYSA-N
XLogP3.58
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile (CID 117048609) is 2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile is CC(C#N)(Cc1ccco1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile?
The InChIKey is KYOSCKUUPAFASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO/c1-14(9-17,8-11-3-2-6-18-11)12-5-4-10(15)7-13(12)16/h2-7H,8H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile?
2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile has a molecular weight of 247.24 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile is sourced from PubChem (CID 117048609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).