1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene

C20H31F3 — CID 143916978

IUPAC1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene
SMILESCC1CCC(C2CCC(C3CC(C)C(F)C(F)C3)=C(F)C2)CC1
InChIInChI=1S/C20H31F3/c1-12-3-5-14(6-4-12)15-7-8-17(18(21)10-15)16-9-13(2)20(23)19(22)11-16/h12-16,19-20H,3-11H2,1-2H3
InChIKeyLAOTWISYGMRLRR-UHFFFAOYSA-N
MW328.46 g/mol
LogP6.56
Rot. Bonds2

About 1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene

1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene (PubChem CID 143916978) has the molecular formula C20H31F3 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene.

Molecular Properties

Compound Name1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene
PubChem CID143916978
Molecular FormulaC20H31F3
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene
SMILESCC1CCC(C2CCC(C3CC(C)C(F)C(F)C3)=C(F)C2)CC1
InChIInChI=1S/C20H31F3/c1-12-3-5-14(6-4-12)15-7-8-17(18(21)10-15)16-9-13(2)20(23)19(22)11-16/h12-16,19-20H,3-11H2,1-2H3
InChIKeyLAOTWISYGMRLRR-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene
CID 177321446
formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one
CID 142844571
[2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane
CID 143002994
1,2-difluoro-3,5-dimethylcyclohexane
CID 89171069
1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane
CID 122534276
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]butyl]cyclohexane
CID 142900014
[2,6-difluoro-4-(4-methylcyclohexyl)cyclohexyl]-pentafluoro-λ6-sulfane
CID 89390369
1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)cyclohexen-1-yl]methoxy]-4-(4-methylphenyl)benzene
CID 59938814
5-(4-methylcyclohexyl)-2-[(3S)-3,4,5-trifluorocyclohexyl]-1,3-dioxane
CID 89343824
molecular hydrogen;1,2,3-trifluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]cyclohexane;hydrate
CID 159495416
5,6-difluoro-2-[6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139869718
[2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane
CID 143940053

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene?
The IUPAC name of 1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene (CID 143916978) is 1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene.
What is the SMILES notation for 1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene?
The canonical SMILES for 1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene is CC1CCC(C2CCC(C3CC(C)C(F)C(F)C3)=C(F)C2)CC1.
What is the InChIKey of 1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene?
The InChIKey is LAOTWISYGMRLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F3/c1-12-3-5-14(6-4-12)15-7-8-17(18(21)10-15)16-9-13(2)20(23)19(22)11-16/h12-16,19-20H,3-11H2,1-2H3.
What are the key properties of 1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene?
1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene has a molecular weight of 328.46 g/mol, XLogP of 6.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluoro-5-methylcyclohexyl)-2-fluoro-4-(4-methylcyclohexyl)cyclohexene is sourced from PubChem (CID 143916978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).