[2,2-difluoroethenoxy(difluoro)methyl]cyclohexane

C9H12F4O — CID 59773666

IUPAC[2,2-difluoroethenoxy(difluoro)methyl]cyclohexane
SMILESFC(F)=COC(F)(F)C1CCCCC1
InChIInChI=1S/C9H12F4O/c10-8(11)6-14-9(12,13)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyWCLQKXKYLSWJJG-UHFFFAOYSA-N
MW212.19 g/mol
LogP3.91
Rot. Bonds3

About [2,2-difluoroethenoxy(difluoro)methyl]cyclohexane

[2,2-difluoroethenoxy(difluoro)methyl]cyclohexane (PubChem CID 59773666) has the molecular formula C9H12F4O and a molecular weight of 212.19 g/mol. Its IUPAC name is [2,2-difluoroethenoxy(difluoro)methyl]cyclohexane.

Molecular Properties

Compound Name[2,2-difluoroethenoxy(difluoro)methyl]cyclohexane
PubChem CID59773666
Molecular FormulaC9H12F4O
Molecular Weight212.19 g/mol
Exact Mass212.08
IUPAC Name[2,2-difluoroethenoxy(difluoro)methyl]cyclohexane
SMILESFC(F)=COC(F)(F)C1CCCCC1
InChIInChI=1S/C9H12F4O/c10-8(11)6-14-9(12,13)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyWCLQKXKYLSWJJG-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,2-difluoroethenoxy(difluoro)methyl]cyclohexane?
The IUPAC name of [2,2-difluoroethenoxy(difluoro)methyl]cyclohexane (CID 59773666) is [2,2-difluoroethenoxy(difluoro)methyl]cyclohexane.
What is the SMILES notation for [2,2-difluoroethenoxy(difluoro)methyl]cyclohexane?
The canonical SMILES for [2,2-difluoroethenoxy(difluoro)methyl]cyclohexane is FC(F)=COC(F)(F)C1CCCCC1.
What is the InChIKey of [2,2-difluoroethenoxy(difluoro)methyl]cyclohexane?
The InChIKey is WCLQKXKYLSWJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4O/c10-8(11)6-14-9(12,13)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of [2,2-difluoroethenoxy(difluoro)methyl]cyclohexane?
[2,2-difluoroethenoxy(difluoro)methyl]cyclohexane has a molecular weight of 212.19 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoroethenoxy(difluoro)methyl]cyclohexane is sourced from PubChem (CID 59773666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).