2-(1,1-difluoropropan-2-yloxy)-2-methylpentane

C9H18F2O — CID 91180683

IUPAC2-(1,1-difluoropropan-2-yloxy)-2-methylpentane
SMILESCCCC(C)(C)OC(C)C(F)F
InChIInChI=1S/C9H18F2O/c1-5-6-9(3,4)12-7(2)8(10)11/h7-8H,5-6H2,1-4H3
InChIKeyMGFNCDWSMFRTSR-UHFFFAOYSA-N
MW180.24 g/mol
LogP3.24
Rot. Bonds5

About 2-(1,1-difluoropropan-2-yloxy)-2-methylpentane

2-(1,1-difluoropropan-2-yloxy)-2-methylpentane (PubChem CID 91180683) has the molecular formula C9H18F2O and a molecular weight of 180.24 g/mol. Its IUPAC name is 2-(1,1-difluoropropan-2-yloxy)-2-methylpentane.

Molecular Properties

Compound Name2-(1,1-difluoropropan-2-yloxy)-2-methylpentane
PubChem CID91180683
Molecular FormulaC9H18F2O
Molecular Weight180.24 g/mol
Exact Mass180.13
IUPAC Name2-(1,1-difluoropropan-2-yloxy)-2-methylpentane
SMILESCCCC(C)(C)OC(C)C(F)F
InChIInChI=1S/C9H18F2O/c1-5-6-9(3,4)12-7(2)8(10)11/h7-8H,5-6H2,1-4H3
InChIKeyMGFNCDWSMFRTSR-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(1,1-difluoropropan-2-yloxy)-2-methylpentane 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 2-(1,1-difluoropropan-2-yloxy)-2-methylpentane?
The IUPAC name of 2-(1,1-difluoropropan-2-yloxy)-2-methylpentane (CID 91180683) is 2-(1,1-difluoropropan-2-yloxy)-2-methylpentane.
What is the SMILES notation for 2-(1,1-difluoropropan-2-yloxy)-2-methylpentane?
The canonical SMILES for 2-(1,1-difluoropropan-2-yloxy)-2-methylpentane is CCCC(C)(C)OC(C)C(F)F.
What is the InChIKey of 2-(1,1-difluoropropan-2-yloxy)-2-methylpentane?
The InChIKey is MGFNCDWSMFRTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O/c1-5-6-9(3,4)12-7(2)8(10)11/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(1,1-difluoropropan-2-yloxy)-2-methylpentane?
2-(1,1-difluoropropan-2-yloxy)-2-methylpentane has a molecular weight of 180.24 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoropropan-2-yloxy)-2-methylpentane is sourced from PubChem (CID 91180683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).