1-[ethoxy(difluoro)methyl]-4-methylcyclohexane

C10H18F2O — CID 11805558

IUPAC1-[ethoxy(difluoro)methyl]-4-methylcyclohexane
SMILESCCOC(F)(F)C1CCC(C)CC1
InChIInChI=1S/C10H18F2O/c1-3-13-10(11,12)9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyFLQBPDQFPBAYID-UHFFFAOYSA-N
MW192.25 g/mol
LogP3.44
Rot. Bonds3

About 1-[ethoxy(difluoro)methyl]-4-methylcyclohexane

1-[ethoxy(difluoro)methyl]-4-methylcyclohexane (PubChem CID 11805558) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-[ethoxy(difluoro)methyl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[ethoxy(difluoro)methyl]-4-methylcyclohexane
PubChem CID11805558
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name1-[ethoxy(difluoro)methyl]-4-methylcyclohexane
SMILESCCOC(F)(F)C1CCC(C)CC1
InChIInChI=1S/C10H18F2O/c1-3-13-10(11,12)9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyFLQBPDQFPBAYID-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(difluoro)methyl]-4-methylcyclohexane?
The IUPAC name of 1-[ethoxy(difluoro)methyl]-4-methylcyclohexane (CID 11805558) is 1-[ethoxy(difluoro)methyl]-4-methylcyclohexane.
What is the SMILES notation for 1-[ethoxy(difluoro)methyl]-4-methylcyclohexane?
The canonical SMILES for 1-[ethoxy(difluoro)methyl]-4-methylcyclohexane is CCOC(F)(F)C1CCC(C)CC1.
What is the InChIKey of 1-[ethoxy(difluoro)methyl]-4-methylcyclohexane?
The InChIKey is FLQBPDQFPBAYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-3-13-10(11,12)9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-[ethoxy(difluoro)methyl]-4-methylcyclohexane?
1-[ethoxy(difluoro)methyl]-4-methylcyclohexane has a molecular weight of 192.25 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(difluoro)methyl]-4-methylcyclohexane is sourced from PubChem (CID 11805558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).