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

C8H13F3O — CID 18725564

IUPAC1-[difluoro(methoxy)methyl]-4-fluorocyclohexane
SMILESCOC(F)(F)C1CCC(F)CC1
InChIInChI=1S/C8H13F3O/c1-12-8(10,11)6-2-4-7(9)5-3-6/h6-7H,2-5H2,1H3
InChIKeyROVBVQKXMZMNQG-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.75
Rot. Bonds2

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

1-[difluoro(methoxy)methyl]-4-fluorocyclohexane (PubChem CID 18725564) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-4-fluorocyclohexane.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-4-fluorocyclohexane
PubChem CID18725564
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name1-[difluoro(methoxy)methyl]-4-fluorocyclohexane
SMILESCOC(F)(F)C1CCC(F)CC1
InChIInChI=1S/C8H13F3O/c1-12-8(10,11)6-2-4-7(9)5-3-6/h6-7H,2-5H2,1H3
InChIKeyROVBVQKXMZMNQG-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[difluoro(methoxy)methyl]-4-fluorocyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]-4-fluorocyclohexane?
The IUPAC name of 1-[difluoro(methoxy)methyl]-4-fluorocyclohexane (CID 18725564) is 1-[difluoro(methoxy)methyl]-4-fluorocyclohexane.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-4-fluorocyclohexane?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-4-fluorocyclohexane is COC(F)(F)C1CCC(F)CC1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-4-fluorocyclohexane?
The InChIKey is ROVBVQKXMZMNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-12-8(10,11)6-2-4-7(9)5-3-6/h6-7H,2-5H2,1H3.
What are the key properties of 1-[difluoro(methoxy)methyl]-4-fluorocyclohexane?
1-[difluoro(methoxy)methyl]-4-fluorocyclohexane has a molecular weight of 182.18 g/mol, XLogP of 2.75, 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-fluorocyclohexane is sourced from PubChem (CID 18725564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).