(2R)-2,3-difluoro-2-methyl-3-(trifluoromethyl)oxirane

C4H3F5O — CID 167088147

IUPAC(2R)-2,3-difluoro-2-methyl-3-(trifluoromethyl)oxirane
SMILESC[C@]1(F)OC1(F)C(F)(F)F
InChIInChI=1S/C4H3F5O/c1-2(5)3(6,10-2)4(7,8)9/h1H3/t2-,3?/m0/s1
InChIKeyDZSYCBAUHUXVQK-SCQFTWEKSA-N
MW162.06 g/mol
LogP1.93
Rot. Bonds

About (2R)-2,3-difluoro-2-methyl-3-(trifluoromethyl)oxirane

(2R)-2,3-difluoro-2-methyl-3-(trifluoromethyl)oxirane (PubChem CID 167088147) has the molecular formula C4H3F5O and a molecular weight of 162.06 g/mol. Its IUPAC name is (2R)-2,3-difluoro-2-methyl-3-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name(2R)-2,3-difluoro-2-methyl-3-(trifluoromethyl)oxirane
PubChem CID167088147
Molecular FormulaC4H3F5O
Molecular Weight162.06 g/mol
Exact Mass162.01
IUPAC Name(2R)-2,3-difluoro-2-methyl-3-(trifluoromethyl)oxirane
SMILESC[C@]1(F)OC1(F)C(F)(F)F
InChIInChI=1S/C4H3F5O/c1-2(5)3(6,10-2)4(7,8)9/h1H3/t2-,3?/m0/s1
InChIKeyDZSYCBAUHUXVQK-SCQFTWEKSA-N
XLogP1.93
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.06
LogP ≤ 51.93
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 (2R)-2,3-difluoro-2-methyl-3-(trifluoromethyl)oxirane?
The IUPAC name of (2R)-2,3-difluoro-2-methyl-3-(trifluoromethyl)oxirane (CID 167088147) is (2R)-2,3-difluoro-2-methyl-3-(trifluoromethyl)oxirane.
What is the SMILES notation for (2R)-2,3-difluoro-2-methyl-3-(trifluoromethyl)oxirane?
The canonical SMILES for (2R)-2,3-difluoro-2-methyl-3-(trifluoromethyl)oxirane is C[C@]1(F)OC1(F)C(F)(F)F.
What is the InChIKey of (2R)-2,3-difluoro-2-methyl-3-(trifluoromethyl)oxirane?
The InChIKey is DZSYCBAUHUXVQK-SCQFTWEKSA-N. The full InChI is InChI=1S/C4H3F5O/c1-2(5)3(6,10-2)4(7,8)9/h1H3/t2-,3?/m0/s1.
What are the key properties of (2R)-2,3-difluoro-2-methyl-3-(trifluoromethyl)oxirane?
(2R)-2,3-difluoro-2-methyl-3-(trifluoromethyl)oxirane has a molecular weight of 162.06 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-difluoro-2-methyl-3-(trifluoromethyl)oxirane is sourced from PubChem (CID 167088147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).