(2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane

C6F12O — CID 98115027

IUPAC(2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)[C@@]1(F)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F12O/c7-2(8,6(16,17)18)3(9)1(19-3,4(10,11)12)5(13,14)15/t3-/m0/s1
InChIKeyNOESGFSFSJKFIF-VKHMYHEASA-N
MW316.04 g/mol
LogP3.74
Rot. Bonds1

About (2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane

(2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane (PubChem CID 98115027) has the molecular formula C6F12O and a molecular weight of 316.04 g/mol. Its IUPAC name is (2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name(2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane
PubChem CID98115027
Molecular FormulaC6F12O
Molecular Weight316.04 g/mol
Exact Mass315.98
IUPAC Name(2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)[C@@]1(F)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F12O/c7-2(8,6(16,17)18)3(9)1(19-3,4(10,11)12)5(13,14)15/t3-/m0/s1
InChIKeyNOESGFSFSJKFIF-VKHMYHEASA-N
XLogP3.74
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.04
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane?
The IUPAC name of (2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane (CID 98115027) is (2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane.
What is the SMILES notation for (2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane?
The canonical SMILES for (2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane is FC(F)(F)C(F)(F)[C@@]1(F)OC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane?
The InChIKey is NOESGFSFSJKFIF-VKHMYHEASA-N. The full InChI is InChI=1S/C6F12O/c7-2(8,6(16,17)18)3(9)1(19-3,4(10,11)12)5(13,14)15/t3-/m0/s1.
What are the key properties of (2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane?
(2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane has a molecular weight of 316.04 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 98115027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).