1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene

C22H24F2 — CID 54322321

IUPAC1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene
SMILESFCCC=CC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H24F2/c23-16-2-1-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-22(24)15-13-21/h1,3,8-15,17-18H,2,4-7,16H2
InChIKeySSMPJNLHKIYFAS-UHFFFAOYSA-N
MW326.43 g/mol
LogP6.68
Rot. Bonds5

About 1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene

1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene (PubChem CID 54322321) has the molecular formula C22H24F2 and a molecular weight of 326.43 g/mol. Its IUPAC name is 1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene
PubChem CID54322321
Molecular FormulaC22H24F2
Molecular Weight326.43 g/mol
Exact Mass326.18
IUPAC Name1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene
SMILESFCCC=CC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H24F2/c23-16-2-1-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-22(24)15-13-21/h1,3,8-15,17-18H,2,4-7,16H2
InChIKeySSMPJNLHKIYFAS-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.43
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(fluoromethyl)-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]phenyl]benzene
CID 19695361
1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene
CID 54385187
1-[4-(4-fluorobut-1-enyl)cyclohexyl]-4-[4-(1-propoxyethyl)phenyl]benzene
CID 67589857
1,2-difluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19695333
1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene
CID 54500656
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene
CID 170293668
2-fluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexyl]-1-(trifluoromethoxy)benzene
CID 19695594
1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 67676134
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene
CID 19380515
4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline
CID 18642462
2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 19695440

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene?
The IUPAC name of 1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene (CID 54322321) is 1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene is FCCC=CC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene?
The InChIKey is SSMPJNLHKIYFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2/c23-16-2-1-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-22(24)15-13-21/h1,3,8-15,17-18H,2,4-7,16H2.
What are the key properties of 1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene?
1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene has a molecular weight of 326.43 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-[4-(4-fluorobut-1-enyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 54322321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).