[(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol

C10H9F3O2 — CID 162540634

IUPAC[(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol
SMILESOC[C@H]1O[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O2/c11-10(12,13)7-3-1-6(2-4-7)9-8(5-14)15-9/h1-4,8-9,14H,5H2/t8-,9+/m1/s1
InChIKeySOPZXTKDIDFGCK-BDAKNGLRSA-N
MW218.17 g/mol
LogP2.14
Rot. Bonds2

About [(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol

[(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol (PubChem CID 162540634) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is [(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol
PubChem CID162540634
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name[(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol
SMILESOC[C@H]1O[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O2/c11-10(12,13)7-3-1-6(2-4-7)9-8(5-14)15-9/h1-4,8-9,14H,5H2/t8-,9+/m1/s1
InChIKeySOPZXTKDIDFGCK-BDAKNGLRSA-N
XLogP2.14
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol (CID 162540634) is [(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol is OC[C@H]1O[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol?
The InChIKey is SOPZXTKDIDFGCK-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H9F3O2/c11-10(12,13)7-3-1-6(2-4-7)9-8(5-14)15-9/h1-4,8-9,14H,5H2/t8-,9+/m1/s1.
What are the key properties of [(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol?
[(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol has a molecular weight of 218.17 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol is sourced from PubChem (CID 162540634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).