(2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane

C3H2F4O — CID 135324287

IUPAC(2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane
SMILESF[C@@H]1O[C@@H]1C(F)(F)F
InChIInChI=1S/C3H2F4O/c4-2-1(8-2)3(5,6)7/h1-2H/t1-,2+/m0/s1
InChIKeyULFHADFFJVZYKF-NHYDCYSISA-N
MW130.04 g/mol
LogP1.24
Rot. Bonds

About (2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane

(2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane (PubChem CID 135324287) has the molecular formula C3H2F4O and a molecular weight of 130.04 g/mol. Its IUPAC name is (2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name(2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane
PubChem CID135324287
Molecular FormulaC3H2F4O
Molecular Weight130.04 g/mol
Exact Mass130.00
IUPAC Name(2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane
SMILESF[C@@H]1O[C@@H]1C(F)(F)F
InChIInChI=1S/C3H2F4O/c4-2-1(8-2)3(5,6)7/h1-2H/t1-,2+/m0/s1
InChIKeyULFHADFFJVZYKF-NHYDCYSISA-N
XLogP1.24
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.04
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-ol
CID 166879287
4-fluoro-5-(trifluoromethyl)-1,3-dioxolane-2-carbaldehyde
CID 174528562
(2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane
CID 135324373
2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane
CID 88593670
2-ethyl-3-(trifluoromethyl)oxirane
CID 119096336
1-[3-(trifluoromethyl)oxiran-2-yl]ethanol
CID 86012116
2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol
CID 146643726
methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate
CID 124745641
(1S,3R,4S)-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride
CID 131664429
2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane
CID 19898567
[5-acetyloxy-3-fluoro-2-iodo-6-(trifluoromethyl)oxan-4-yl] acetate
CID 18980662
2-methyl-4-(trifluoromethyl)oxetane
CID 162568381

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane?
The IUPAC name of (2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane (CID 135324287) is (2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane.
What is the SMILES notation for (2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane?
The canonical SMILES for (2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane is F[C@@H]1O[C@@H]1C(F)(F)F.
What is the InChIKey of (2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane?
The InChIKey is ULFHADFFJVZYKF-NHYDCYSISA-N. The full InChI is InChI=1S/C3H2F4O/c4-2-1(8-2)3(5,6)7/h1-2H/t1-,2+/m0/s1.
What are the key properties of (2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane?
(2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane has a molecular weight of 130.04 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-fluoro-3-(trifluoromethyl)oxirane is sourced from PubChem (CID 135324287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).