1-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane

C11H20F2O — CID 122577384

IUPAC1-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane
SMILESCCOC1(C(C)C)CCC(F)(F)CC1
InChIInChI=1S/C11H20F2O/c1-4-14-10(9(2)3)5-7-11(12,13)8-6-10/h9H,4-8H2,1-3H3
InChIKeyYMAUXNINVFAMLT-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.63
Rot. Bonds3

About 1-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane

1-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane (PubChem CID 122577384) has the molecular formula C11H20F2O and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane
PubChem CID122577384
Molecular FormulaC11H20F2O
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane
SMILESCCOC1(C(C)C)CCC(F)(F)CC1
InChIInChI=1S/C11H20F2O/c1-4-14-10(9(2)3)5-7-11(12,13)8-6-10/h9H,4-8H2,1-3H3
InChIKeyYMAUXNINVFAMLT-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane 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-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane?
The IUPAC name of 1-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane (CID 122577384) is 1-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane.
What is the SMILES notation for 1-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane?
The canonical SMILES for 1-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane is CCOC1(C(C)C)CCC(F)(F)CC1.
What is the InChIKey of 1-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane?
The InChIKey is YMAUXNINVFAMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O/c1-4-14-10(9(2)3)5-7-11(12,13)8-6-10/h9H,4-8H2,1-3H3.
What are the key properties of 1-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane?
1-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane has a molecular weight of 206.28 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane is sourced from PubChem (CID 122577384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).