2,2,3-trifluoro-3,4-bis(trifluoromethyl)oxetane

C5HF9O — CID 154111706

IUPAC2,2,3-trifluoro-3,4-bis(trifluoromethyl)oxetane
SMILESFC(F)(F)C1OC(F)(F)C1(F)C(F)(F)F
InChIInChI=1S/C5HF9O/c6-2(4(10,11)12)1(3(7,8)9)15-5(2,13)14/h1H
InChIKeyWFJYUVHNCPGWSD-UHFFFAOYSA-N
MW248.04 g/mol
LogP2.81
Rot. Bonds

About 2,2,3-trifluoro-3,4-bis(trifluoromethyl)oxetane

2,2,3-trifluoro-3,4-bis(trifluoromethyl)oxetane (PubChem CID 154111706) has the molecular formula C5HF9O and a molecular weight of 248.04 g/mol. Its IUPAC name is 2,2,3-trifluoro-3,4-bis(trifluoromethyl)oxetane.

Molecular Properties

Compound Name2,2,3-trifluoro-3,4-bis(trifluoromethyl)oxetane
PubChem CID154111706
Molecular FormulaC5HF9O
Molecular Weight248.04 g/mol
Exact Mass247.99
IUPAC Name2,2,3-trifluoro-3,4-bis(trifluoromethyl)oxetane
SMILESFC(F)(F)C1OC(F)(F)C1(F)C(F)(F)F
InChIInChI=1S/C5HF9O/c6-2(4(10,11)12)1(3(7,8)9)15-5(2,13)14/h1H
InChIKeyWFJYUVHNCPGWSD-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.04
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Fluoro-2,2-bis(trifluoromethyl)oxetane
CID 14144890
2,3-Difluoro-4-(trifluoromethyl)oxetane
CID 12583201
2,3-Difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 12583205
2,2-Bis(trifluoromethyl)oxetane
CID 14144886
2,2-Difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane
CID 20759157
3,3-Difluoro-2-methyl-2-(trifluoromethyl)oxetane
CID 59310355
2,2-Difluoro-3,4-bis(trifluoromethyl)oxetane
CID 59809212
2,2,3,3-Tetrafluoro-4-(trifluoromethyl)oxetane
CID 60034271
2,2-Difluoro-4-(trifluoromethyl)oxetane
CID 60102361
2,3-Difluoro-2-(trifluoromethyl)oxetane
CID 87844911
3,3-Difluoro-2-(trifluoromethyl)oxetane
CID 90743468
2,2-Bis(difluoromethyl)oxetane
CID 157638774

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3,4-bis(trifluoromethyl)oxetane?
The IUPAC name of 2,2,3-trifluoro-3,4-bis(trifluoromethyl)oxetane (CID 154111706) is 2,2,3-trifluoro-3,4-bis(trifluoromethyl)oxetane.
What is the SMILES notation for 2,2,3-trifluoro-3,4-bis(trifluoromethyl)oxetane?
The canonical SMILES for 2,2,3-trifluoro-3,4-bis(trifluoromethyl)oxetane is FC(F)(F)C1OC(F)(F)C1(F)C(F)(F)F.
What is the InChIKey of 2,2,3-trifluoro-3,4-bis(trifluoromethyl)oxetane?
The InChIKey is WFJYUVHNCPGWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF9O/c6-2(4(10,11)12)1(3(7,8)9)15-5(2,13)14/h1H.
What are the key properties of 2,2,3-trifluoro-3,4-bis(trifluoromethyl)oxetane?
2,2,3-trifluoro-3,4-bis(trifluoromethyl)oxetane has a molecular weight of 248.04 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3,4-bis(trifluoromethyl)oxetane is sourced from PubChem (CID 154111706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).