1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene

C20H27F — CID 19380515

IUPAC1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene
SMILESC=CC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C20H27F/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h2,11-18H,1,3-10H2
InChIKeyKTFHANHVOKLNOH-UHFFFAOYSA-N
MW286.43 g/mol
LogP6.09
Rot. Bonds3

About 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene

1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene (PubChem CID 19380515) has the molecular formula C20H27F and a molecular weight of 286.43 g/mol. Its IUPAC name is 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene
PubChem CID19380515
Molecular FormulaC20H27F
Molecular Weight286.43 g/mol
Exact Mass286.21
IUPAC Name1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene
SMILESC=CC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C20H27F/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h2,11-18H,1,3-10H2
InChIKeyKTFHANHVOKLNOH-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.43
LogP ≤ 56.09
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

5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene
CID 134236125
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen
CID 161187621
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene
CID 88993446
(E)-3-[4-[4-(4-fluorophenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile
CID 19613534
1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene
CID 147093203
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;ethyl(methyl)phosphane;molecular hydrogen
CID 158183639
1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen
CID 160545349
2-[4-(difluoromethoxy)phenyl]-6-(4-ethenylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868354
4-[4-(6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]benzonitrile
CID 139870577
1-fluoro-4-(4-fluorocyclohexyl)benzene
CID 23539867
1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene
CID 91062077

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene?
The IUPAC name of 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene (CID 19380515) is 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene.
What is the SMILES notation for 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene?
The canonical SMILES for 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene is C=CC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene?
The InChIKey is KTFHANHVOKLNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h2,11-18H,1,3-10H2.
What are the key properties of 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene?
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene has a molecular weight of 286.43 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene is sourced from PubChem (CID 19380515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).