(2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane

C6H5F7O2 — CID 40501241

IUPAC(2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane
SMILESFC(F)(F)O[C@](F)(C[C@H]1CO1)C(F)(F)F
InChIInChI=1S/C6H5F7O2/c7-4(5(8,9)10,1-3-2-14-3)15-6(11,12)13/h3H,1-2H2/t3-,4+/m0/s1
InChIKeyYLTWQTPPDBTMJI-IUYQGCFVSA-N
MW242.09 g/mol
LogP2.54
Rot. Bonds3

About (2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane

(2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane (PubChem CID 40501241) has the molecular formula C6H5F7O2 and a molecular weight of 242.09 g/mol. Its IUPAC name is (2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane
PubChem CID40501241
Molecular FormulaC6H5F7O2
Molecular Weight242.09 g/mol
Exact Mass242.02
IUPAC Name(2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane
SMILESFC(F)(F)O[C@](F)(C[C@H]1CO1)C(F)(F)F
InChIInChI=1S/C6H5F7O2/c7-4(5(8,9)10,1-3-2-14-3)15-6(11,12)13/h3H,1-2H2/t3-,4+/m0/s1
InChIKeyYLTWQTPPDBTMJI-IUYQGCFVSA-N
XLogP2.54
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)oxirane
CID 89213921
2-(2,2,2-trifluoroethyl)oxirane
CID 2782635
2-(2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-3-methylnonyl)oxirane
CID 19707572
(2S)-2-[2-methyl-2-[2-methyl-1-[(2S)-oxiran-2-yl]propan-2-yl]oxypropyl]oxirane
CID 87603297
2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane
CID 23618197
2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane
CID 173040236
2-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butyl]oxirane
CID 58659971
1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175116625
(2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane
CID 7145783
1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethoxy)butane
CID 2776771
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane
CID 138682995

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane?
The IUPAC name of (2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane (CID 40501241) is (2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane.
What is the SMILES notation for (2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane?
The canonical SMILES for (2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane is FC(F)(F)O[C@](F)(C[C@H]1CO1)C(F)(F)F.
What is the InChIKey of (2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane?
The InChIKey is YLTWQTPPDBTMJI-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H5F7O2/c7-4(5(8,9)10,1-3-2-14-3)15-6(11,12)13/h3H,1-2H2/t3-,4+/m0/s1.
What are the key properties of (2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane?
(2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane has a molecular weight of 242.09 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane is sourced from PubChem (CID 40501241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).