[ethoxy(difluoro)methyl]cyclohexane

C9H16F2O — CID 18725579

IUPAC[ethoxy(difluoro)methyl]cyclohexane
SMILESCCOC(F)(F)C1CCCCC1
InChIInChI=1S/C9H16F2O/c1-2-12-9(10,11)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyGXRJAZYDEHBFDH-UHFFFAOYSA-N
MW178.22 g/mol
LogP3.20
Rot. Bonds3

About [ethoxy(difluoro)methyl]cyclohexane

[ethoxy(difluoro)methyl]cyclohexane (PubChem CID 18725579) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is [ethoxy(difluoro)methyl]cyclohexane.

Molecular Properties

Compound Name[ethoxy(difluoro)methyl]cyclohexane
PubChem CID18725579
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name[ethoxy(difluoro)methyl]cyclohexane
SMILESCCOC(F)(F)C1CCCCC1
InChIInChI=1S/C9H16F2O/c1-2-12-9(10,11)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyGXRJAZYDEHBFDH-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[Ethoxy(difluoro)methyl]-4-methylcyclohexane
CID 11805558
[Difluoro(methoxy)methyl]cyclohexane
CID 14491590
Methoxymethylcyclohexane
CID 6432218
2,2,2-Trifluoroethoxymethylcyclohexane
CID 14970149
3-[Chloro(difluoro)methoxy]propylcyclohexane
CID 101863779
3-[Cyclohexyl(difluoro)methoxy]propyl-trimethylsilane
CID 176426574
[Cyclopropylmethoxy(difluoro)methyl]cyclohexane
CID 176426576
[Cyclobutylmethoxy(difluoro)methyl]cyclohexane
CID 176426578
(2-(Pentyloxy)ethyl)cyclohexane
CID 41212
1-Methyl-1-(2,2,2-trifluoroethoxy)cyclohexane
CID 21638554
cis-(1R,3S)-1-methyl-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 21638556
trans-(1S,3S)-1-methyl-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 21638557

Frequently Asked Questions

What is the IUPAC name of [ethoxy(difluoro)methyl]cyclohexane?
The IUPAC name of [ethoxy(difluoro)methyl]cyclohexane (CID 18725579) is [ethoxy(difluoro)methyl]cyclohexane.
What is the SMILES notation for [ethoxy(difluoro)methyl]cyclohexane?
The canonical SMILES for [ethoxy(difluoro)methyl]cyclohexane is CCOC(F)(F)C1CCCCC1.
What is the InChIKey of [ethoxy(difluoro)methyl]cyclohexane?
The InChIKey is GXRJAZYDEHBFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-2-12-9(10,11)8-6-4-3-5-7-8/h8H,2-7H2,1H3.
What are the key properties of [ethoxy(difluoro)methyl]cyclohexane?
[ethoxy(difluoro)methyl]cyclohexane has a molecular weight of 178.22 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(difluoro)methyl]cyclohexane is sourced from PubChem (CID 18725579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).