1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C24H39F3 — CID 59348904

IUPAC1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC(C2CCC(C3CC4CCC(C)C(F)C4C(F)C3F)CC2)CC1
InChIInChI=1S/C24H39F3/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)20-13-19-8-5-15(2)22(25)21(19)24(27)23(20)26/h14-24H,3-13H2,1-2H3
InChIKeyWVNICTMOEFMYBF-UHFFFAOYSA-N
MW384.57 g/mol
LogP7.32
Rot. Bonds2

About 1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 59348904) has the molecular formula C24H39F3 and a molecular weight of 384.57 g/mol. Its IUPAC name is 1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID59348904
Molecular FormulaC24H39F3
Molecular Weight384.57 g/mol
Exact Mass384.30
IUPAC Name1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC(C2CCC(C3CC4CCC(C)C(F)C4C(F)C3F)CC2)CC1
InChIInChI=1S/C24H39F3/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)20-13-19-8-5-15(2)22(25)21(19)24(27)23(20)26/h14-24H,3-13H2,1-2H3
InChIKeyWVNICTMOEFMYBF-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160840388
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
trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane
CID 59970721
2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane;methane;trihydrate
CID 158971717
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-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane
CID 143405112
1-[4-(2,3-difluoro-4-iodocyclohexyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane
CID 118103255
1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 142208106
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
2,3-difluoro-1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
CID 59866396
3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 71083265

Frequently Asked Questions

What is the IUPAC name of 1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 59348904) is 1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC1CCC(C2CCC(C3CC4CCC(C)C(F)C4C(F)C3F)CC2)CC1.
What is the InChIKey of 1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is WVNICTMOEFMYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39F3/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)20-13-19-8-5-15(2)22(25)21(19)24(27)23(20)26/h14-24H,3-13H2,1-2H3.
What are the key properties of 1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 384.57 g/mol, XLogP of 7.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 59348904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).