3-(1,1-difluoro-2-methylpropyl)oxetane

C7H12F2O — CID 156846479

IUPAC3-(1,1-difluoro-2-methylpropyl)oxetane
SMILESCC(C)C(F)(F)C1COC1
InChIInChI=1S/C7H12F2O/c1-5(2)7(8,9)6-3-10-4-6/h5-6H,3-4H2,1-2H3
InChIKeyCRVBHHOSNZWRBT-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.92
Rot. Bonds2

About 3-(1,1-difluoro-2-methylpropyl)oxetane

3-(1,1-difluoro-2-methylpropyl)oxetane (PubChem CID 156846479) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-methylpropyl)oxetane.

Molecular Properties

Compound Name3-(1,1-difluoro-2-methylpropyl)oxetane
PubChem CID156846479
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name3-(1,1-difluoro-2-methylpropyl)oxetane
SMILESCC(C)C(F)(F)C1COC1
InChIInChI=1S/C7H12F2O/c1-5(2)7(8,9)6-3-10-4-6/h5-6H,3-4H2,1-2H3
InChIKeyCRVBHHOSNZWRBT-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(1,1-difluoro-2-methylpropyl)oxetane 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

[Difluoro(methoxy)methyl]cyclobutane
CID 18725578
1,1,1-Trifluoro-5-methoxy-2-methylpentane
CID 54079437
2,2-Difluoro-1-methoxy-4-methylpentane
CID 59458528
Difluoromethoxymethylcyclobutane
CID 67382390
4-Methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 87069289
1,1,1-Trifluoro-2-(methoxymethyl)pentane
CID 87244316
1-(Difluoromethoxy)-4-methylpentane
CID 87379260
4-Methyl-1-(trifluoromethoxy)pentane
CID 88995088
2,2-Difluoro-1-methoxy-3-methylpentane
CID 89321251
1,1-Difluoroethoxymethylcyclobutane
CID 90392455
3-Propyl-3-(trifluoromethyl)oxetane
CID 117550908
3-(2-Methylpropyl)-3-(trifluoromethyl)oxetane
CID 117550909

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-methylpropyl)oxetane?
The IUPAC name of 3-(1,1-difluoro-2-methylpropyl)oxetane (CID 156846479) is 3-(1,1-difluoro-2-methylpropyl)oxetane.
What is the SMILES notation for 3-(1,1-difluoro-2-methylpropyl)oxetane?
The canonical SMILES for 3-(1,1-difluoro-2-methylpropyl)oxetane is CC(C)C(F)(F)C1COC1.
What is the InChIKey of 3-(1,1-difluoro-2-methylpropyl)oxetane?
The InChIKey is CRVBHHOSNZWRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-5(2)7(8,9)6-3-10-4-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-(1,1-difluoro-2-methylpropyl)oxetane?
3-(1,1-difluoro-2-methylpropyl)oxetane has a molecular weight of 150.17 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-methylpropyl)oxetane is sourced from PubChem (CID 156846479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).