2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane

C20H32F4O — CID 20810919

IUPAC2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
SMILESCC1CCC(C2CCC(C3CC(F)C(OC(F)F)C(F)C3)CC2)CC1
InChIInChI=1S/C20H32F4O/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(21)19(18(22)11-16)25-20(23)24/h12-20H,2-11H2,1H3
InChIKeyQOELIFPVZYKRJM-UHFFFAOYSA-N
MW364.47 g/mol
LogP6.31
Rot. Bonds4

About 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane

2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane (PubChem CID 20810919) has the molecular formula C20H32F4O and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
PubChem CID20810919
Molecular FormulaC20H32F4O
Molecular Weight364.47 g/mol
Exact Mass364.24
IUPAC Name2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
SMILESCC1CCC(C2CCC(C3CC(F)C(OC(F)F)C(F)C3)CC2)CC1
InChIInChI=1S/C20H32F4O/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(21)19(18(22)11-16)25-20(23)24/h12-20H,2-11H2,1H3
InChIKeyQOELIFPVZYKRJM-UHFFFAOYSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1'-Bicyclohexyl, 4-methoxy-4'-pentyl-
CID 556870
1-[(4-Pentylcyclohexoxy)methyl]-4-(4-propylcyclohexyl)cyclohexane
CID 22886322
(trans,trans)-4-Propyl-4a(2)-[[(trans-4-propylcyclohexyl)oxy]methyl]-1,1a(2)-bicyclohexyl
CID 22886327
1-Ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 57298880
1-Ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 118971049
1-(1,1,2,2,2-Pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 11198653
(1alpha,1'beta)-4beta-Pentyl-4'alpha-(trifluoromethoxy)-1,1'-bicyclohexane
CID 15002009
1-Methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002010
1-Propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
CID 15218814
1-(2,2-Difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 15376156
1-(2-Fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane
CID 18344037
1-(2-Fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 18344053

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane?
The IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane (CID 20810919) is 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane?
The canonical SMILES for 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane is CC1CCC(C2CCC(C3CC(F)C(OC(F)F)C(F)C3)CC2)CC1.
What is the InChIKey of 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane?
The InChIKey is QOELIFPVZYKRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F4O/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(21)19(18(22)11-16)25-20(23)24/h12-20H,2-11H2,1H3.
What are the key properties of 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane?
2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane has a molecular weight of 364.47 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 20810919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).