3-fluoro-2-phenylbenzonitrile

C13H8FN — CID 46314737

IUPAC3-fluoro-2-phenylbenzonitrile
SMILESN#Cc1cccc(F)c1-c1ccccc1
InChIInChI=1S/C13H8FN/c14-12-8-4-7-11(9-15)13(12)10-5-2-1-3-6-10/h1-8H
InChIKeySIJUZBXACSOJQN-UHFFFAOYSA-N
MW197.21 g/mol
LogP3.36
Rot. Bonds1

About 3-fluoro-2-phenylbenzonitrile

3-fluoro-2-phenylbenzonitrile (PubChem CID 46314737) has the molecular formula C13H8FN and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-fluoro-2-phenylbenzonitrile.

Molecular Properties

Compound Name3-fluoro-2-phenylbenzonitrile
PubChem CID46314737
Molecular FormulaC13H8FN
Molecular Weight197.21 g/mol
Exact Mass197.06
IUPAC Name3-fluoro-2-phenylbenzonitrile
SMILESN#Cc1cccc(F)c1-c1ccccc1
InChIInChI=1S/C13H8FN/c14-12-8-4-7-11(9-15)13(12)10-5-2-1-3-6-10/h1-8H
InChIKeySIJUZBXACSOJQN-UHFFFAOYSA-N
XLogP3.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-phenylbenzonitrile?
The IUPAC name of 3-fluoro-2-phenylbenzonitrile (CID 46314737) is 3-fluoro-2-phenylbenzonitrile.
What is the SMILES notation for 3-fluoro-2-phenylbenzonitrile?
The canonical SMILES for 3-fluoro-2-phenylbenzonitrile is N#Cc1cccc(F)c1-c1ccccc1.
What is the InChIKey of 3-fluoro-2-phenylbenzonitrile?
The InChIKey is SIJUZBXACSOJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN/c14-12-8-4-7-11(9-15)13(12)10-5-2-1-3-6-10/h1-8H.
What are the key properties of 3-fluoro-2-phenylbenzonitrile?
3-fluoro-2-phenylbenzonitrile has a molecular weight of 197.21 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-phenylbenzonitrile is sourced from PubChem (CID 46314737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).