3-tert-butyl-2,2-difluorooxetane

C7H12F2O — CID 126763945

IUPAC3-tert-butyl-2,2-difluorooxetane
SMILESCC(C)(C)C1COC1(F)F
InChIInChI=1S/C7H12F2O/c1-6(2,3)5-4-10-7(5,8)9/h5H,4H2,1-3H3
InChIKeyBPSILEKKQIUBTI-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.27
Rot. Bonds

About 3-tert-butyl-2,2-difluorooxetane

3-tert-butyl-2,2-difluorooxetane (PubChem CID 126763945) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 3-tert-butyl-2,2-difluorooxetane.

Molecular Properties

Compound Name3-tert-butyl-2,2-difluorooxetane
PubChem CID126763945
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name3-tert-butyl-2,2-difluorooxetane
SMILESCC(C)(C)C1COC1(F)F
InChIInChI=1S/C7H12F2O/c1-6(2,3)5-4-10-7(5,8)9/h5H,4H2,1-3H3
InChIKeyBPSILEKKQIUBTI-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Tertbutyl oxetane
CID 57869404
2,2-Difluoro-1-methoxy-3,3-dimethylbutane
CID 58044575
3-Fluoro-3-propan-2-yloxetane
CID 58222496
(2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane
CID 59127101
(2R)-1-(difluoromethoxy)-2,3-dimethylbutane
CID 87420391
1-(Difluoromethoxy)-2,3-dimethylbutane
CID 87431398
1,1,1-Trifluoro-4-methoxy-3,3-dimethylbutane
CID 89465591
3-Tert-butyl-3-(trifluoromethyl)oxetane
CID 116875849
3-Ethyl-3-(trifluoromethyl)oxetane
CID 117550906
3-Propan-2-yl-3-(trifluoromethyl)oxetane
CID 117550907
3-Ethyl-3-(fluoromethyl)oxetane
CID 117956424
3-(Difluoromethyl)-3-ethyloxetane
CID 117956425

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,2-difluorooxetane?
The IUPAC name of 3-tert-butyl-2,2-difluorooxetane (CID 126763945) is 3-tert-butyl-2,2-difluorooxetane.
What is the SMILES notation for 3-tert-butyl-2,2-difluorooxetane?
The canonical SMILES for 3-tert-butyl-2,2-difluorooxetane is CC(C)(C)C1COC1(F)F.
What is the InChIKey of 3-tert-butyl-2,2-difluorooxetane?
The InChIKey is BPSILEKKQIUBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-6(2,3)5-4-10-7(5,8)9/h5H,4H2,1-3H3.
What are the key properties of 3-tert-butyl-2,2-difluorooxetane?
3-tert-butyl-2,2-difluorooxetane has a molecular weight of 150.17 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,2-difluorooxetane is sourced from PubChem (CID 126763945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).