1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane

C25H41F3 — CID 143405112

IUPAC1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C3CCC(C4CCCCC4)C(F)C3)C(F)C2F)CC1
InChIInChI=1S/C25H41F3/c1-16-7-9-18(10-8-16)21-13-14-22(25(28)24(21)27)19-11-12-20(23(26)15-19)17-5-3-2-4-6-17/h16-25H,2-15H2,1H3
InChIKeyDQSZVMNHTLQEQO-UHFFFAOYSA-N
MW398.60 g/mol
LogP7.85
Rot. Bonds3

About 1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane

1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 143405112) has the molecular formula C25H41F3 and a molecular weight of 398.60 g/mol. Its IUPAC name is 1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane
PubChem CID143405112
Molecular FormulaC25H41F3
Molecular Weight398.60 g/mol
Exact Mass398.32
IUPAC Name1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C3CCC(C4CCCCC4)C(F)C3)C(F)C2F)CC1
InChIInChI=1S/C25H41F3/c1-16-7-9-18(10-8-16)21-13-14-22(25(28)24(21)27)19-11-12-20(23(26)15-19)17-5-3-2-4-6-17/h16-25H,2-15H2,1H3
InChIKeyDQSZVMNHTLQEQO-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.60
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane;methane;trihydrate
CID 158971717
1-ethoxy-2,3-difluoro-4-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 118592236
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-4-propoxycyclohexane
CID 118592218
3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol
CID 70887654
1-cyclohexyl-2,3-difluoro-4-[4-(3-fluoro-4-iodocyclohexyl)cyclohexyl]cyclohexane
CID 90437409
[2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane
CID 142988213
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160840388
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 97102805
1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane
CID 143294229
1,3-difluoro-5-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-2-iodocyclohexane
CID 118887189
1-(3,4-dimethylcyclohexyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane;2-fluoro-1-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-4-methylcyclohexane;2-fluoro-1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexane;2-fluoro-4-(3-fluoro-4-methylcyclohexyl)-1-(4-methylcyclohexyl)cyclohexane;dodecahydrate
CID 158122685
2-fluoro-1-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)cyclohexyl]cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
CID 89094542

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane (CID 143405112) is 1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane is CC1CCC(C2CCC(C3CCC(C4CCCCC4)C(F)C3)C(F)C2F)CC1.
What is the InChIKey of 1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is DQSZVMNHTLQEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41F3/c1-16-7-9-18(10-8-16)21-13-14-22(25(28)24(21)27)19-11-12-20(23(26)15-19)17-5-3-2-4-6-17/h16-25H,2-15H2,1H3.
What are the key properties of 1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane?
1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 398.60 g/mol, XLogP of 7.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 143405112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).