1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene

C18H23F — CID 54500656

IUPAC1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene
SMILESCCC=CC=CC1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23F/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19)14-12-17/h3-6,11-16H,2,7-10H2,1H3
InChIKeyYCEGXRAIBAPNJO-UHFFFAOYSA-N
MW258.38 g/mol
LogP5.62
Rot. Bonds4

About 1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene

1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene (PubChem CID 54500656) has the molecular formula C18H23F and a molecular weight of 258.38 g/mol. Its IUPAC name is 1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene
PubChem CID54500656
Molecular FormulaC18H23F
Molecular Weight258.38 g/mol
Exact Mass258.18
IUPAC Name1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene
SMILESCCC=CC=CC1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23F/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19)14-12-17/h3-6,11-16H,2,7-10H2,1H3
InChIKeyYCEGXRAIBAPNJO-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.38
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene 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

1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
CID 22915776
1,2,3-trifluoro-5-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
CID 19967704
1-(4-but-1-enylcyclohexyl)-4-methylbenzene
CID 123937808
1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 59638896
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene
CID 54322321
(E)-3-[4-[4-(4-fluorophenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile
CID 19613534
4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile
CID 67925507
1-[4-[(E)-but-1-enyl]cyclohexyl]-4-isocyanobenzene
CID 20594569
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene
CID 19380515
1-fluoro-4-[4-[4-(4-pentylphenyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 54283016
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene
CID 19798836

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene?
The IUPAC name of 1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene (CID 54500656) is 1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene.
What is the SMILES notation for 1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene?
The canonical SMILES for 1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene is CCC=CC=CC1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene?
The InChIKey is YCEGXRAIBAPNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19)14-12-17/h3-6,11-16H,2,7-10H2,1H3.
What are the key properties of 1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene?
1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene has a molecular weight of 258.38 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene is sourced from PubChem (CID 54500656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).