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

C11H20F2O — CID 20705630

IUPAC1-[difluoro(methoxy)methyl]-4-propylcyclohexane
SMILESCCCC1CCC(C(F)(F)OC)CC1
InChIInChI=1S/C11H20F2O/c1-3-4-9-5-7-10(8-6-9)11(12,13)14-2/h9-10H,3-8H2,1-2H3
InChIKeyPMMRDSWLLARZJL-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.83
Rot. Bonds4

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

1-[difluoro(methoxy)methyl]-4-propylcyclohexane (PubChem CID 20705630) has the molecular formula C11H20F2O and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-4-propylcyclohexane.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-4-propylcyclohexane
PubChem CID20705630
Molecular FormulaC11H20F2O
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1-[difluoro(methoxy)methyl]-4-propylcyclohexane
SMILESCCCC1CCC(C(F)(F)OC)CC1
InChIInChI=1S/C11H20F2O/c1-3-4-9-5-7-10(8-6-9)11(12,13)14-2/h9-10H,3-8H2,1-2H3
InChIKeyPMMRDSWLLARZJL-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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

Launch Full Analysis

Related Compounds

1-[Ethoxy(difluoro)methyl]-4-methylcyclohexane
CID 11805558
[Difluoro(methoxy)methyl]cyclohexane
CID 14491590
3-(2,2,2-Trifluoroethoxy)propylcyclohexane
CID 121221077
1-(2-Fluoroethyl)-4-(methoxymethyl)cyclohexane
CID 18343976
1-[Difluoro(methoxy)methyl]-3-(fluoromethyl)-5-methylcyclohexane
CID 18725562
1-[Difluoro(methoxy)methyl]-3-methylcyclohexane
CID 18725563
1-[Difluoro(methoxy)methyl]-4-fluorocyclohexane
CID 18725564
1-[Difluoro(methoxy)methyl]-4-methylcyclohexane
CID 18725565
(1-Ethoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 18725566
(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane
CID 18725571
[Ethoxy(difluoro)methyl]cyclohexane
CID 18725579
1-[Ethoxy(difluoro)methyl]-3-methylcyclohexane
CID 18731748

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]-4-propylcyclohexane?
The IUPAC name of 1-[difluoro(methoxy)methyl]-4-propylcyclohexane (CID 20705630) is 1-[difluoro(methoxy)methyl]-4-propylcyclohexane.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-4-propylcyclohexane?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-4-propylcyclohexane is CCCC1CCC(C(F)(F)OC)CC1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-4-propylcyclohexane?
The InChIKey is PMMRDSWLLARZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O/c1-3-4-9-5-7-10(8-6-9)11(12,13)14-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-[difluoro(methoxy)methyl]-4-propylcyclohexane?
1-[difluoro(methoxy)methyl]-4-propylcyclohexane has a molecular weight of 206.28 g/mol, XLogP of 3.83, 4 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-propylcyclohexane is sourced from PubChem (CID 20705630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).