(2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane

C5H5F5O — CID 12633090

IUPAC(2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane
SMILESC[C@@]1(C(F)(F)F)O[C@@H](F)[C@@H]1F
InChIInChI=1S/C5H5F5O/c1-4(5(8,9)10)2(6)3(7)11-4/h2-3H,1H3/t2-,3+,4+/m0/s1
InChIKeyZNCBGYQHGRFIGO-PZGQECOJSA-N
MW176.08 g/mol
LogP1.97
Rot. Bonds

About (2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane

(2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane (PubChem CID 12633090) has the molecular formula C5H5F5O and a molecular weight of 176.08 g/mol. Its IUPAC name is (2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name(2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane
PubChem CID12633090
Molecular FormulaC5H5F5O
Molecular Weight176.08 g/mol
Exact Mass176.03
IUPAC Name(2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane
SMILESC[C@@]1(C(F)(F)F)O[C@@H](F)[C@@H]1F
InChIInChI=1S/C5H5F5O/c1-4(5(8,9)10)2(6)3(7)11-4/h2-3H,1H3/t2-,3+,4+/m0/s1
InChIKeyZNCBGYQHGRFIGO-PZGQECOJSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.08
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane?
The IUPAC name of (2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane (CID 12633090) is (2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane.
What is the SMILES notation for (2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane?
The canonical SMILES for (2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane is C[C@@]1(C(F)(F)F)O[C@@H](F)[C@@H]1F.
What is the InChIKey of (2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane?
The InChIKey is ZNCBGYQHGRFIGO-PZGQECOJSA-N. The full InChI is InChI=1S/C5H5F5O/c1-4(5(8,9)10)2(6)3(7)11-4/h2-3H,1H3/t2-,3+,4+/m0/s1.
What are the key properties of (2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane?
(2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane has a molecular weight of 176.08 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane is sourced from PubChem (CID 12633090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).