1,1-difluoro-4-(methoxymethyl)cyclohexane

C8H14F2O — CID 59009675

IUPAC1,1-difluoro-4-(methoxymethyl)cyclohexane
SMILESCOCC1CCC(F)(F)CC1
InChIInChI=1S/C8H14F2O/c1-11-6-7-2-4-8(9,10)5-3-7/h7H,2-6H2,1H3
InChIKeyKJEQSZIODBYRET-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.46
Rot. Bonds2

About 1,1-difluoro-4-(methoxymethyl)cyclohexane

1,1-difluoro-4-(methoxymethyl)cyclohexane (PubChem CID 59009675) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 1,1-difluoro-4-(methoxymethyl)cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-(methoxymethyl)cyclohexane
PubChem CID59009675
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name1,1-difluoro-4-(methoxymethyl)cyclohexane
SMILESCOCC1CCC(F)(F)CC1
InChIInChI=1S/C8H14F2O/c1-11-6-7-2-4-8(9,10)5-3-7/h7H,2-6H2,1H3
InChIKeyKJEQSZIODBYRET-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-(methoxymethyl)cyclohexane?
The IUPAC name of 1,1-difluoro-4-(methoxymethyl)cyclohexane (CID 59009675) is 1,1-difluoro-4-(methoxymethyl)cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-(methoxymethyl)cyclohexane?
The canonical SMILES for 1,1-difluoro-4-(methoxymethyl)cyclohexane is COCC1CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-(methoxymethyl)cyclohexane?
The InChIKey is KJEQSZIODBYRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-11-6-7-2-4-8(9,10)5-3-7/h7H,2-6H2,1H3.
What are the key properties of 1,1-difluoro-4-(methoxymethyl)cyclohexane?
1,1-difluoro-4-(methoxymethyl)cyclohexane has a molecular weight of 164.19 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-(methoxymethyl)cyclohexane is sourced from PubChem (CID 59009675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).