2-fluoro-4-(4-propylphenyl)benzonitrile

C16H14FN — CID 15085130

IUPAC2-fluoro-4-(4-propylphenyl)benzonitrile
SMILESCCCc1ccc(-c2ccc(C#N)c(F)c2)cc1
InChIInChI=1S/C16H14FN/c1-2-3-12-4-6-13(7-5-12)14-8-9-15(11-18)16(17)10-14/h4-10H,2-3H2,1H3
InChIKeyOUKURIGEEGKUMR-UHFFFAOYSA-N
MW239.29 g/mol
LogP4.32
Rot. Bonds3

About 2-fluoro-4-(4-propylphenyl)benzonitrile

2-fluoro-4-(4-propylphenyl)benzonitrile (PubChem CID 15085130) has the molecular formula C16H14FN and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-fluoro-4-(4-propylphenyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(4-propylphenyl)benzonitrile
PubChem CID15085130
Molecular FormulaC16H14FN
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC Name2-fluoro-4-(4-propylphenyl)benzonitrile
SMILESCCCc1ccc(-c2ccc(C#N)c(F)c2)cc1
InChIInChI=1S/C16H14FN/c1-2-3-12-4-6-13(7-5-12)14-8-9-15(11-18)16(17)10-14/h4-10H,2-3H2,1H3
InChIKeyOUKURIGEEGKUMR-UHFFFAOYSA-N
XLogP4.32
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile
CID 14766020
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2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile
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2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile
CID 19798813
4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile
CID 58840233
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CID 139884069
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
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1-bromo-2-fluoro-4-(4-propylphenyl)benzene
CID 19917644
1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine
CID 63424766
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-propylphenyl)benzonitrile?
The IUPAC name of 2-fluoro-4-(4-propylphenyl)benzonitrile (CID 15085130) is 2-fluoro-4-(4-propylphenyl)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(4-propylphenyl)benzonitrile?
The canonical SMILES for 2-fluoro-4-(4-propylphenyl)benzonitrile is CCCc1ccc(-c2ccc(C#N)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-(4-propylphenyl)benzonitrile?
The InChIKey is OUKURIGEEGKUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN/c1-2-3-12-4-6-13(7-5-12)14-8-9-15(11-18)16(17)10-14/h4-10H,2-3H2,1H3.
What are the key properties of 2-fluoro-4-(4-propylphenyl)benzonitrile?
2-fluoro-4-(4-propylphenyl)benzonitrile has a molecular weight of 239.29 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-propylphenyl)benzonitrile is sourced from PubChem (CID 15085130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).