2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile

C24H22FN — CID 14766020

IUPAC2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile
SMILESCCCc1ccc(CCc2ccc(-c3ccc(C#N)c(F)c3)cc2)cc1
InChIInChI=1S/C24H22FN/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-15-23(17-26)24(25)16-22/h4-7,10-16H,2-3,8-9H2,1H3
InChIKeyDVNSSXWJVNAOBB-UHFFFAOYSA-N
MW343.45 g/mol
LogP6.10
Rot. Bonds6

About 2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile

2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile (PubChem CID 14766020) has the molecular formula C24H22FN and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile
PubChem CID14766020
Molecular FormulaC24H22FN
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC Name2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile
SMILESCCCc1ccc(CCc2ccc(-c3ccc(C#N)c(F)c3)cc2)cc1
InChIInChI=1S/C24H22FN/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-15-23(17-26)24(25)16-22/h4-7,10-16H,2-3,8-9H2,1H3
InChIKeyDVNSSXWJVNAOBB-UHFFFAOYSA-N
XLogP6.10
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-(4-propylphenyl)benzonitrile
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2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzonitrile
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2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
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1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile (CID 14766020) is 2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile is CCCc1ccc(CCc2ccc(-c3ccc(C#N)c(F)c3)cc2)cc1.
What is the InChIKey of 2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile?
The InChIKey is DVNSSXWJVNAOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-15-23(17-26)24(25)16-22/h4-7,10-16H,2-3,8-9H2,1H3.
What are the key properties of 2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile?
2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile has a molecular weight of 343.45 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile is sourced from PubChem (CID 14766020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).