(1,1-difluoro-2-methylpropoxy)methylcyclobutane

C9H16F2O — CID 58422631

IUPAC(1,1-difluoro-2-methylpropoxy)methylcyclobutane
SMILESCC(C)C(F)(F)OCC1CCC1
InChIInChI=1S/C9H16F2O/c1-7(2)9(10,11)12-6-8-4-3-5-8/h7-8H,3-6H2,1-2H3
InChIKeyGDHCFYDWGICQQT-UHFFFAOYSA-N
MW178.22 g/mol
LogP3.05
Rot. Bonds4

About (1,1-difluoro-2-methylpropoxy)methylcyclobutane

(1,1-difluoro-2-methylpropoxy)methylcyclobutane (PubChem CID 58422631) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is (1,1-difluoro-2-methylpropoxy)methylcyclobutane.

Molecular Properties

Compound Name(1,1-difluoro-2-methylpropoxy)methylcyclobutane
PubChem CID58422631
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name(1,1-difluoro-2-methylpropoxy)methylcyclobutane
SMILESCC(C)C(F)(F)OCC1CCC1
InChIInChI=1S/C9H16F2O/c1-7(2)9(10,11)12-6-8-4-3-5-8/h7-8H,3-6H2,1-2H3
InChIKeyGDHCFYDWGICQQT-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1,1-difluoro-2-methylpropoxy)methylcyclobutane 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 (1,1-difluoro-2-methylpropoxy)methylcyclobutane?
The IUPAC name of (1,1-difluoro-2-methylpropoxy)methylcyclobutane (CID 58422631) is (1,1-difluoro-2-methylpropoxy)methylcyclobutane.
What is the SMILES notation for (1,1-difluoro-2-methylpropoxy)methylcyclobutane?
The canonical SMILES for (1,1-difluoro-2-methylpropoxy)methylcyclobutane is CC(C)C(F)(F)OCC1CCC1.
What is the InChIKey of (1,1-difluoro-2-methylpropoxy)methylcyclobutane?
The InChIKey is GDHCFYDWGICQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-7(2)9(10,11)12-6-8-4-3-5-8/h7-8H,3-6H2,1-2H3.
What are the key properties of (1,1-difluoro-2-methylpropoxy)methylcyclobutane?
(1,1-difluoro-2-methylpropoxy)methylcyclobutane has a molecular weight of 178.22 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-2-methylpropoxy)methylcyclobutane is sourced from PubChem (CID 58422631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).