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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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).