3-(1,1-difluoroethyl)-3-methyloxetane

C6H10F2O — CID 138553538

IUPAC3-(1,1-difluoroethyl)-3-methyloxetane
SMILESCC(F)(F)C1(C)COC1
InChIInChI=1S/C6H10F2O/c1-5(3-9-4-5)6(2,7)8/h3-4H2,1-2H3
InChIKeyIDMOYWYNDPQZIL-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.68
Rot. Bonds1

About 3-(1,1-difluoroethyl)-3-methyloxetane

3-(1,1-difluoroethyl)-3-methyloxetane (PubChem CID 138553538) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-3-methyloxetane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-3-methyloxetane
PubChem CID138553538
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name3-(1,1-difluoroethyl)-3-methyloxetane
SMILESCC(F)(F)C1(C)COC1
InChIInChI=1S/C6H10F2O/c1-5(3-9-4-5)6(2,7)8/h3-4H2,1-2H3
InChIKeyIDMOYWYNDPQZIL-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Difluor-aminomethyl)-3-methyloxetane
CID 129735476
1,1,1-Trifluoro-4-methoxy-2,2-bis(trifluoromethyl)butane
CID 14091758
3-Ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane
CID 56949555
3-Ethyl-2-fluoro-3-(methoxymethyl)oxetane
CID 57089713
2,2-Difluoro-1-methoxy-3,3-dimethylbutane
CID 58044575
3,3-Dimethyl-1-(2,2,2-trifluoroethoxy)butane
CID 58279929
1,1,1-Trifluoro-4-methoxy-3,3-dimethylbutane
CID 89465591
1,1,1-Trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane
CID 89465783
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-Propyl-3-(trifluoromethyl)oxetane
CID 117550908

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-3-methyloxetane?
The IUPAC name of 3-(1,1-difluoroethyl)-3-methyloxetane (CID 138553538) is 3-(1,1-difluoroethyl)-3-methyloxetane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-3-methyloxetane?
The canonical SMILES for 3-(1,1-difluoroethyl)-3-methyloxetane is CC(F)(F)C1(C)COC1.
What is the InChIKey of 3-(1,1-difluoroethyl)-3-methyloxetane?
The InChIKey is IDMOYWYNDPQZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-5(3-9-4-5)6(2,7)8/h3-4H2,1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-3-methyloxetane?
3-(1,1-difluoroethyl)-3-methyloxetane has a molecular weight of 136.14 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-3-methyloxetane is sourced from PubChem (CID 138553538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).