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

C9H16F2O — CID 18725565

IUPAC1-[difluoro(methoxy)methyl]-4-methylcyclohexane
SMILESCOC(F)(F)C1CCC(C)CC1
InChIInChI=1S/C9H16F2O/c1-7-3-5-8(6-4-7)9(10,11)12-2/h7-8H,3-6H2,1-2H3
InChIKeyWSNBEICVCWIELQ-UHFFFAOYSA-N
MW178.22 g/mol
LogP3.05
Rot. Bonds2

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

1-[difluoro(methoxy)methyl]-4-methylcyclohexane (PubChem CID 18725565) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-4-methylcyclohexane
PubChem CID18725565
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name1-[difluoro(methoxy)methyl]-4-methylcyclohexane
SMILESCOC(F)(F)C1CCC(C)CC1
InChIInChI=1S/C9H16F2O/c1-7-3-5-8(6-4-7)9(10,11)12-2/h7-8H,3-6H2,1-2H3
InChIKeyWSNBEICVCWIELQ-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]-4-methylcyclohexane?
The IUPAC name of 1-[difluoro(methoxy)methyl]-4-methylcyclohexane (CID 18725565) is 1-[difluoro(methoxy)methyl]-4-methylcyclohexane.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-4-methylcyclohexane?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-4-methylcyclohexane is COC(F)(F)C1CCC(C)CC1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-4-methylcyclohexane?
The InChIKey is WSNBEICVCWIELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-7-3-5-8(6-4-7)9(10,11)12-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-[difluoro(methoxy)methyl]-4-methylcyclohexane?
1-[difluoro(methoxy)methyl]-4-methylcyclohexane has a molecular weight of 178.22 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(methoxy)methyl]-4-methylcyclohexane is sourced from PubChem (CID 18725565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).