1,2-difluoro-3-(methoxymethyl)cyclohexane

C8H14F2O — CID 89098847

IUPAC1,2-difluoro-3-(methoxymethyl)cyclohexane
SMILESCOCC1CCCC(F)C1F
InChIInChI=1S/C8H14F2O/c1-11-5-6-3-2-4-7(9)8(6)10/h6-8H,2-5H2,1H3
InChIKeyOPQFFAZCMPNXKB-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.11
Rot. Bonds2

About 1,2-difluoro-3-(methoxymethyl)cyclohexane

1,2-difluoro-3-(methoxymethyl)cyclohexane (PubChem CID 89098847) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 1,2-difluoro-3-(methoxymethyl)cyclohexane.

Molecular Properties

Compound Name1,2-difluoro-3-(methoxymethyl)cyclohexane
PubChem CID89098847
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name1,2-difluoro-3-(methoxymethyl)cyclohexane
SMILESCOCC1CCCC(F)C1F
InChIInChI=1S/C8H14F2O/c1-11-5-6-3-2-4-7(9)8(6)10/h6-8H,2-5H2,1H3
InChIKeyOPQFFAZCMPNXKB-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(methoxymethyl)cyclohexane?
The IUPAC name of 1,2-difluoro-3-(methoxymethyl)cyclohexane (CID 89098847) is 1,2-difluoro-3-(methoxymethyl)cyclohexane.
What is the SMILES notation for 1,2-difluoro-3-(methoxymethyl)cyclohexane?
The canonical SMILES for 1,2-difluoro-3-(methoxymethyl)cyclohexane is COCC1CCCC(F)C1F.
What is the InChIKey of 1,2-difluoro-3-(methoxymethyl)cyclohexane?
The InChIKey is OPQFFAZCMPNXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-11-5-6-3-2-4-7(9)8(6)10/h6-8H,2-5H2,1H3.
What are the key properties of 1,2-difluoro-3-(methoxymethyl)cyclohexane?
1,2-difluoro-3-(methoxymethyl)cyclohexane has a molecular weight of 164.19 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(methoxymethyl)cyclohexane is sourced from PubChem (CID 89098847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).