2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile

C14H12FNO — CID 117048637

IUPAC2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile
SMILESCC(C#N)(Cc1ccco1)c1ccccc1F
InChIInChI=1S/C14H12FNO/c1-14(10-16,9-11-5-4-8-17-11)12-6-2-3-7-13(12)15/h2-8H,9H2,1H3
InChIKeyIIQNBCDYCQWGBF-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.44
Rot. Bonds3

About 2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile

2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile (PubChem CID 117048637) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile
PubChem CID117048637
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile
SMILESCC(C#N)(Cc1ccco1)c1ccccc1F
InChIInChI=1S/C14H12FNO/c1-14(10-16,9-11-5-4-8-17-11)12-6-2-3-7-13(12)15/h2-8H,9H2,1H3
InChIKeyIIQNBCDYCQWGBF-UHFFFAOYSA-N
XLogP3.44
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Phenyl-3-(2-furyl)prop-2-enal
CID 6435876
Acrylophenone, 3-(2-furyl)-
CID 5354164
4-(2-Furyl)benzonitrile
CID 3419540
ethyl (2E)-2-cyano-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enoate
CID 726341
1-(4-Fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 5709307
3-(2-Furyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 5709430
2,4-Diphenylfuran
CID 344972
4-(Furan-3-Yl)Benzaldehyde
CID 21526045
3-Phenylfuran
CID 518802
2-Phenylfuran
CID 519363
2-(3-Phenylpropyl)furan
CID 529780
4-(Furan-2-yl)benzaldehyde
CID 2772295

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile (CID 117048637) is 2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile is CC(C#N)(Cc1ccco1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile?
The InChIKey is IIQNBCDYCQWGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c1-14(10-16,9-11-5-4-8-17-11)12-6-2-3-7-13(12)15/h2-8H,9H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile?
2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile has a molecular weight of 229.25 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile is sourced from PubChem (CID 117048637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).