2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile

C19H17F2N — CID 19798813

IUPAC2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(CCCC/C=C/F)cc2)cc1F
InChIInChI=1S/C19H17F2N/c20-12-4-2-1-3-5-15-6-8-16(9-7-15)17-10-11-18(14-22)19(21)13-17/h4,6-13H,1-3,5H2/b12-4+
InChIKeyWSUMVORLJKVLFC-UUILKARUSA-N
MW297.35 g/mol
LogP5.56
Rot. Bonds6

About 2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile

2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile (PubChem CID 19798813) has the molecular formula C19H17F2N and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile
PubChem CID19798813
Molecular FormulaC19H17F2N
Molecular Weight297.35 g/mol
Exact Mass297.13
IUPAC Name2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(CCCC/C=C/F)cc2)cc1F
InChIInChI=1S/C19H17F2N/c20-12-4-2-1-3-5-15-6-8-16(9-7-15)17-10-11-18(14-22)19(21)13-17/h4,6-13H,1-3,5H2/b12-4+
InChIKeyWSUMVORLJKVLFC-UUILKARUSA-N
XLogP5.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.35
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile 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-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile
CID 59077359
4-[4-[7-[4-(4-cyano-3-fluorophenyl)phenyl]heptyl]phenyl]-2-fluorobenzonitrile
CID 168820275
1,2-difluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene
CID 19798792
1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene
CID 54556893
1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene
CID 54186156
2-fluoro-4-(4-propylphenyl)benzonitrile
CID 15085130
2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzonitrile
CID 90209321
1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene
CID 19798855
1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene
CID 54280038
2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile
CID 14766020
2-fluoro-4-[2-[4-[(E)-7-fluorohept-6-enyl]cyclohexyl]ethyl]benzonitrile
CID 19781026
2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile
CID 54368056

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile (CID 19798813) is 2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(CCCC/C=C/F)cc2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile?
The InChIKey is WSUMVORLJKVLFC-UUILKARUSA-N. The full InChI is InChI=1S/C19H17F2N/c20-12-4-2-1-3-5-15-6-8-16(9-7-15)17-10-11-18(14-22)19(21)13-17/h4,6-13H,1-3,5H2/b12-4+.
What are the key properties of 2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile?
2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile has a molecular weight of 297.35 g/mol, XLogP of 5.56, 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-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile is sourced from PubChem (CID 19798813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).