1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane

C21H34F2 — CID 143932548

IUPAC1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane
SMILESCC1CCC(C2CCC(C=CC3CCCCC3)CC2)C(F)C1F
InChIInChI=1S/C21H34F2/c1-15-7-14-19(21(23)20(15)22)18-12-10-17(11-13-18)9-8-16-5-3-2-4-6-16/h8-9,15-21H,2-7,10-14H2,1H3
InChIKeyMPCIDCIYBMRYIA-UHFFFAOYSA-N
MW324.50 g/mol
LogP6.65
Rot. Bonds3

About 1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane

1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane (PubChem CID 143932548) has the molecular formula C21H34F2 and a molecular weight of 324.50 g/mol. Its IUPAC name is 1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane.

Molecular Properties

Compound Name1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane
PubChem CID143932548
Molecular FormulaC21H34F2
Molecular Weight324.50 g/mol
Exact Mass324.26
IUPAC Name1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane
SMILESCC1CCC(C2CCC(C=CC3CCCCC3)CC2)C(F)C1F
InChIInChI=1S/C21H34F2/c1-15-7-14-19(21(23)20(15)22)18-12-10-17(11-13-18)9-8-16-5-3-2-4-6-16/h8-9,15-21H,2-7,10-14H2,1H3
InChIKeyMPCIDCIYBMRYIA-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.50
LogP ≤ 56.65
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-1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
CID 59866396
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160840388
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;octahydrate
CID 160792991
1-[4-(2,3-difluoro-4-iodocyclohexyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane
CID 118103255
bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate
CID 162010835
2-(2,3-difluoro-4-methylcyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;trihydrate
CID 158616195
2-cyclohexylethenylcyclohexane
CID 4124459
1-[4-(3,3-difluorobutyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane
CID 118971137
1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane
CID 143405112
2,7-bis(2-cyclohexylethenyl)-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
CID 140510770
1-[4-(3,4-difluoro-5-methyloctan-2-yl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane
CID 142417603
(2S)-1-[4-[2-(2,3-difluoro-4-methylcyclohexyl)ethyl]cyclohexyl]-2,3-difluoro-4-(4-pentylcyclohexyl)cyclohexane
CID 90437368

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane?
The IUPAC name of 1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane (CID 143932548) is 1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane.
What is the SMILES notation for 1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane?
The canonical SMILES for 1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane is CC1CCC(C2CCC(C=CC3CCCCC3)CC2)C(F)C1F.
What is the InChIKey of 1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane?
The InChIKey is MPCIDCIYBMRYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34F2/c1-15-7-14-19(21(23)20(15)22)18-12-10-17(11-13-18)9-8-16-5-3-2-4-6-16/h8-9,15-21H,2-7,10-14H2,1H3.
What are the key properties of 1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane?
1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane has a molecular weight of 324.50 g/mol, XLogP of 6.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane is sourced from PubChem (CID 143932548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).