4-[(4-cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol

C19H30F4O2 — CID 130390489

IUPAC4-[(4-cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol
SMILESOC1CCC(OC(F)(F)C2CCC(C3CCCCC3)CC2)C(F)C1F
InChIInChI=1S/C19H30F4O2/c20-17-15(24)10-11-16(18(17)21)25-19(22,23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h12-18,24H,1-11H2
InChIKeyOKXLUGQLVBMHOT-UHFFFAOYSA-N
MW366.44 g/mol
LogP5.18
Rot. Bonds4

About 4-[(4-cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol

4-[(4-cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol (PubChem CID 130390489) has the molecular formula C19H30F4O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[(4-cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol
PubChem CID130390489
Molecular FormulaC19H30F4O2
Molecular Weight366.44 g/mol
Exact Mass366.22
IUPAC Name4-[(4-cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol
SMILESOC1CCC(OC(F)(F)C2CCC(C3CCCCC3)CC2)C(F)C1F
InChIInChI=1S/C19H30F4O2/c20-17-15(24)10-11-16(18(17)21)25-19(22,23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h12-18,24H,1-11H2
InChIKeyOKXLUGQLVBMHOT-UHFFFAOYSA-N
XLogP5.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[Difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane
CID 20810918
5-[Difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorocyclohexane
CID 20810934
2-[[3,5-Difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane
CID 58151027
1-[Difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxycyclohexane
CID 58657989
5-[Difluoro-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorocyclohexane
CID 59112459
1-[2-(4-Cyclohexylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxybutan-2-ol
CID 59716080
4-[(2,3,3-Trifluoro-4-methyl-1-bicyclo[2.2.2]octanyl)methoxy]cyclohexan-1-ol
CID 68034149
3-Fluoro-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexan-1-ol
CID 70976868
4-Cyclohexyl-1-[difluoro-(4-fluorocyclohexyl)oxymethyl]-2-fluorocyclohexane
CID 71162024
5-Cyclohexyl-2-[difluoro-(4-fluorocyclohexyl)oxymethyl]-1,3-difluorocyclohexane
CID 71162027
1-[Difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane
CID 71162028
4-Cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane
CID 71162029

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol?
The IUPAC name of 4-[(4-cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol (CID 130390489) is 4-[(4-cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol.
What is the SMILES notation for 4-[(4-cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol?
The canonical SMILES for 4-[(4-cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol is OC1CCC(OC(F)(F)C2CCC(C3CCCCC3)CC2)C(F)C1F.
What is the InChIKey of 4-[(4-cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol?
The InChIKey is OKXLUGQLVBMHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F4O2/c20-17-15(24)10-11-16(18(17)21)25-19(22,23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h12-18,24H,1-11H2.
What are the key properties of 4-[(4-cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol?
4-[(4-cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol has a molecular weight of 366.44 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexylcyclohexyl)-difluoromethoxy]-2,3-difluorocyclohexan-1-ol is sourced from PubChem (CID 130390489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).