2,2-difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane

C6H6F8O — CID 91451151

IUPAC2,2-difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane
SMILESCC(F)(F)F.FC(F)(F)C1COC1(F)F
InChIInChI=1S/C4H3F5O.C2H3F3/c5-3(6,7)2-1-10-4(2,8)9;1-2(3,4)5/h2H,1H2;1H3
InChIKeyDNWHJWGELNHIQH-UHFFFAOYSA-N
MW246.10 g/mol
LogP3.36
Rot. Bonds

About 2,2-difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane

2,2-difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane (PubChem CID 91451151) has the molecular formula C6H6F8O and a molecular weight of 246.10 g/mol. Its IUPAC name is 2,2-difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane.

Molecular Properties

Compound Name2,2-difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane
PubChem CID91451151
Molecular FormulaC6H6F8O
Molecular Weight246.10 g/mol
Exact Mass246.03
IUPAC Name2,2-difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane
SMILESCC(F)(F)F.FC(F)(F)C1COC1(F)F
InChIInChI=1S/C4H3F5O.C2H3F3/c5-3(6,7)2-1-10-4(2,8)9;1-2(3,4)5/h2H,1H2;1H3
InChIKeyDNWHJWGELNHIQH-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane?
The IUPAC name of 2,2-difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane (CID 91451151) is 2,2-difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane.
What is the SMILES notation for 2,2-difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane?
The canonical SMILES for 2,2-difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane is CC(F)(F)F.FC(F)(F)C1COC1(F)F.
What is the InChIKey of 2,2-difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane?
The InChIKey is DNWHJWGELNHIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O.C2H3F3/c5-3(6,7)2-1-10-4(2,8)9;1-2(3,4)5/h2H,1H2;1H3.
What are the key properties of 2,2-difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane?
2,2-difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane has a molecular weight of 246.10 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane is sourced from PubChem (CID 91451151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).