[1-ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane

C16H30F2O2 — CID 174162128

IUPAC[1-ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane
SMILESCCOCC(CCC(C)(F)F)(COC)C1CCCCC1
InChIInChI=1S/C16H30F2O2/c1-4-20-13-16(12-19-3,11-10-15(2,17)18)14-8-6-5-7-9-14/h14H,4-13H2,1-3H3
InChIKeyLGURKXHDHGSUTP-UHFFFAOYSA-N
MW292.41 g/mol
LogP4.67
Rot. Bonds9

About [1-ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane

[1-ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane (PubChem CID 174162128) has the molecular formula C16H30F2O2 and a molecular weight of 292.41 g/mol. Its IUPAC name is [1-ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane.

Molecular Properties

Compound Name[1-ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane
PubChem CID174162128
Molecular FormulaC16H30F2O2
Molecular Weight292.41 g/mol
Exact Mass292.22
IUPAC Name[1-ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane
SMILESCCOCC(CCC(C)(F)F)(COC)C1CCCCC1
InChIInChI=1S/C16H30F2O2/c1-4-20-13-16(12-19-3,11-10-15(2,17)18)14-8-6-5-7-9-14/h14H,4-13H2,1-3H3
InChIKeyLGURKXHDHGSUTP-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Ethoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 18725566
4-[Difluoro(propoxy)methyl]spiro[5.5]undecane
CID 20686703
[2-(Butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 57806697
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclohexane
CID 58275591
[2-(2-Ethyl-3-hydroperoxy-2-methylbutoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 58823664
3-(5,5-Difluoro-6,6-dimethylheptyl)-3-ethyl-4-methyloxolane
CID 68343134
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(ethoxymethyl)cyclohexane
CID 68343172
1-(5,5-Difluorohexyl)-1-(methoxymethyl)cyclohexane
CID 69923808
4-(1,1-Difluoro-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-4-fluorooxepane
CID 89513884
[2-(Butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane
CID 90760835
2,3-Dimethyl-6-propyloxane;1,1,1-trifluoro-2,2-dimethylbutane
CID 91380177
3-(Difluoromethoxymethyl)-2,3-dimethyloctane
CID 123677409

Frequently Asked Questions

What is the IUPAC name of [1-ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane?
The IUPAC name of [1-ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane (CID 174162128) is [1-ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane.
What is the SMILES notation for [1-ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane?
The canonical SMILES for [1-ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane is CCOCC(CCC(C)(F)F)(COC)C1CCCCC1.
What is the InChIKey of [1-ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane?
The InChIKey is LGURKXHDHGSUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2O2/c1-4-20-13-16(12-19-3,11-10-15(2,17)18)14-8-6-5-7-9-14/h14H,4-13H2,1-3H3.
What are the key properties of [1-ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane?
[1-ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane has a molecular weight of 292.41 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane is sourced from PubChem (CID 174162128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).