1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene

C20H33F — CID 177321446

IUPAC1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene
SMILESCC1CCC(C2CC=C(C3CCC(C)C(F)C3)CC2)CC1
InChIInChI=1S/C20H33F/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19/h11,14-17,19-20H,3-10,12-13H2,1-2H3
InChIKeyBWQBQZVNQLOKCB-UHFFFAOYSA-N
MW292.48 g/mol
LogP6.31
Rot. Bonds2

About 1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene

1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene (PubChem CID 177321446) has the molecular formula C20H33F and a molecular weight of 292.48 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene.

Molecular Properties

Compound Name1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene
PubChem CID177321446
Molecular FormulaC20H33F
Molecular Weight292.48 g/mol
Exact Mass292.26
IUPAC Name1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene
SMILESCC1CCC(C2CC=C(C3CCC(C)C(F)C3)CC2)CC1
InChIInChI=1S/C20H33F/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19/h11,14-17,19-20H,3-10,12-13H2,1-2H3
InChIKeyBWQBQZVNQLOKCB-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.48
LogP ≤ 56.31
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

2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane
CID 144631307
tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate
CID 161058057
4-methylbicyclo[4.2.0]oct-1-ene
CID 145440699
4-(4-methylcyclohexyl)cyclohexen-1-ol
CID 145005896
1-ethyl-4-(4-methylcyclohexyl)cyclohexene
CID 148827626
bis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2-fluoro-1,4-dimethylcyclohexane);molecular hydrogen;trihydrate
CID 160605414
1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene
CID 167674656
[4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid
CID 145005860
1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene
CID 143916978
1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 147765310
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene
CID 91500726
[4-[4-(trifluoromethoxy)cyclohexyl]cyclohex-3-en-1-yl]cyclooctane
CID 126551978

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene?
The IUPAC name of 1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene (CID 177321446) is 1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene.
What is the SMILES notation for 1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene?
The canonical SMILES for 1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene is CC1CCC(C2CC=C(C3CCC(C)C(F)C3)CC2)CC1.
What is the InChIKey of 1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene?
The InChIKey is BWQBQZVNQLOKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33F/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19/h11,14-17,19-20H,3-10,12-13H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene?
1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene has a molecular weight of 292.48 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene is sourced from PubChem (CID 177321446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).