(2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane

C5H2F8O — CID 135324373

IUPAC(2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane
SMILESF[C@@H]1O[C@H]1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F8O/c6-2-1(14-2)3(7,4(8,9)10)5(11,12)13/h1-2H/t1-,2-/m1/s1
InChIKeyVJWFFHMRCKCZDR-JCYAYHJZSA-N
MW230.05 g/mol
LogP2.51
Rot. Bonds1

About (2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane

(2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane (PubChem CID 135324373) has the molecular formula C5H2F8O and a molecular weight of 230.05 g/mol. Its IUPAC name is (2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane.

Molecular Properties

Compound Name(2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane
PubChem CID135324373
Molecular FormulaC5H2F8O
Molecular Weight230.05 g/mol
Exact Mass230.00
IUPAC Name(2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane
SMILESF[C@@H]1O[C@H]1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F8O/c6-2-1(14-2)3(7,4(8,9)10)5(11,12)13/h1-2H/t1-,2-/m1/s1
InChIKeyVJWFFHMRCKCZDR-JCYAYHJZSA-N
XLogP2.51
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane?
The IUPAC name of (2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane (CID 135324373) is (2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane.
What is the SMILES notation for (2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane?
The canonical SMILES for (2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane is F[C@@H]1O[C@H]1C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane?
The InChIKey is VJWFFHMRCKCZDR-JCYAYHJZSA-N. The full InChI is InChI=1S/C5H2F8O/c6-2-1(14-2)3(7,4(8,9)10)5(11,12)13/h1-2H/t1-,2-/m1/s1.
What are the key properties of (2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane?
(2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane has a molecular weight of 230.05 g/mol, XLogP of 2.51, 1 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-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane is sourced from PubChem (CID 135324373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).