1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane

C23H40F2O — CID 59938742

IUPAC1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
SMILESCC1CCC(CCC2CCC(C(F)(F)OC3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C23H40F2O/c1-17-3-7-19(8-4-17)9-10-20-11-13-21(14-12-20)23(24,25)26-22-15-5-18(2)6-16-22/h17-22H,3-16H2,1-2H3
InChIKeyQQHIXMGMCJHIGW-UHFFFAOYSA-N
MW370.57 g/mol
LogP7.59
Rot. Bonds6

About 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane

1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane (PubChem CID 59938742) has the molecular formula C23H40F2O and a molecular weight of 370.57 g/mol. Its IUPAC name is 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
PubChem CID59938742
Molecular FormulaC23H40F2O
Molecular Weight370.57 g/mol
Exact Mass370.30
IUPAC Name1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
SMILESCC1CCC(CCC2CCC(C(F)(F)OC3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C23H40F2O/c1-17-3-7-19(8-4-17)9-10-20-11-13-21(14-12-20)23(24,25)26-22-15-5-18(2)6-16-22/h17-22H,3-16H2,1-2H3
InChIKeyQQHIXMGMCJHIGW-UHFFFAOYSA-N
XLogP7.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.57
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane
CID 142035391
1-(2,2-difluoroethenyl)-4-[difluoro-(4-methylcyclohexyl)oxymethyl]cyclohexane
CID 138493513
5-[difluoro-(4-methylcyclohexyl)methoxy]-1,2,3-trifluorocyclohexane;methane;dihydrate
CID 161347958
1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane
CID 58665405
1-butoxy-4-[difluoro-(4-methylcyclohexyl)methoxy]-2-methylcyclohexane
CID 137428561
4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene
CID 89280493
1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane
CID 90243596
4-[difluoro-(4-methylcyclohexyl)methoxy]-2,6-difluorocyclohexane-1-carbonitrile;dihydrate
CID 158324972
5-[4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]cyclohexyl]-1,2,3-trifluorobenzene
CID 144902461
1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane
CID 59015376
5-[[4-[2-[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 89280449
1-[difluoro(methoxy)methyl]-4-pentylcyclohexane
CID 20705628

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane (CID 59938742) is 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane is CC1CCC(CCC2CCC(C(F)(F)OC3CCC(C)CC3)CC2)CC1.
What is the InChIKey of 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane?
The InChIKey is QQHIXMGMCJHIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40F2O/c1-17-3-7-19(8-4-17)9-10-20-11-13-21(14-12-20)23(24,25)26-22-15-5-18(2)6-16-22/h17-22H,3-16H2,1-2H3.
What are the key properties of 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane?
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane has a molecular weight of 370.57 g/mol, XLogP of 7.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 59938742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).