1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane

C23H40F2O — CID 144642715

IUPAC1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane
SMILESCC1CCC(C2CCC(C(F)(F)OC3CCC(C)C(C)C3C)CC2)CC1
InChIInChI=1S/C23H40F2O/c1-15-5-8-19(9-6-15)20-10-12-21(13-11-20)23(24,25)26-22-14-7-16(2)17(3)18(22)4/h15-22H,5-14H2,1-4H3
InChIKeyDCALGLMWTYTPEC-UHFFFAOYSA-N
MW370.57 g/mol
LogP7.30
Rot. Bonds4

About 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane

1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane (PubChem CID 144642715) has the molecular formula C23H40F2O and a molecular weight of 370.57 g/mol. Its IUPAC name is 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane.

Molecular Properties

Compound Name1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane
PubChem CID144642715
Molecular FormulaC23H40F2O
Molecular Weight370.57 g/mol
Exact Mass370.30
IUPAC Name1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane
SMILESCC1CCC(C2CCC(C(F)(F)OC3CCC(C)C(C)C3C)CC2)CC1
InChIInChI=1S/C23H40F2O/c1-15-5-8-19(9-6-15)20-10-12-21(13-11-20)23(24,25)26-22-14-7-16(2)17(3)18(22)4/h15-22H,5-14H2,1-4H3
InChIKeyDCALGLMWTYTPEC-UHFFFAOYSA-N
XLogP7.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.57
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;1,2,3-trifluoro-4-methylcyclohexane;tetrahydrate
CID 162089536
1,2,3,4,7-pentamethylcyclononane
CID 123773414
1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane
CID 142035391
5-[difluoro-(4-methylcyclohexyl)methoxy]-1,2,3-trifluorocyclohexane;methane;dihydrate
CID 161347958
5-[4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]cyclohexyl]-1,2,3-trifluorobenzene
CID 144902461
1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane
CID 58665405
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
CID 59938742
1-butoxy-4-[difluoro-(4-methylcyclohexyl)methoxy]-2-methylcyclohexane
CID 137428561
2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane;methane;molecular hydrogen;hydrate
CID 158904100
1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 70917025
(1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane
CID 59912966
5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2-fluoro-1,3-dimethylbenzene
CID 20793286

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane?
The IUPAC name of 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane (CID 144642715) is 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane.
What is the SMILES notation for 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane?
The canonical SMILES for 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane is CC1CCC(C2CCC(C(F)(F)OC3CCC(C)C(C)C3C)CC2)CC1.
What is the InChIKey of 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane?
The InChIKey is DCALGLMWTYTPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40F2O/c1-15-5-8-19(9-6-15)20-10-12-21(13-11-20)23(24,25)26-22-14-7-16(2)17(3)18(22)4/h15-22H,5-14H2,1-4H3.
What are the key properties of 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane?
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane has a molecular weight of 370.57 g/mol, XLogP of 7.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3,4-trimethylcyclohexane is sourced from PubChem (CID 144642715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).