phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol

C10H9F3O2 — CID 12037703

IUPACphenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol
SMILESOC(c1ccccc1)[C@@]1(C(F)(F)F)CO1
InChIInChI=1S/C10H9F3O2/c11-10(12,13)9(6-15-9)8(14)7-4-2-1-3-5-7/h1-5,8,14H,6H2/t8?,9-/m1/s1
InChIKeyYTEBSSOQSNSLEN-YGPZHTELSA-N
MW218.17 g/mol
LogP2.05
Rot. Bonds2

About phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol

phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol (PubChem CID 12037703) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Namephenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol
PubChem CID12037703
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Namephenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol
SMILESOC(c1ccccc1)[C@@]1(C(F)(F)F)CO1
InChIInChI=1S/C10H9F3O2/c11-10(12,13)9(6-15-9)8(14)7-4-2-1-3-5-7/h1-5,8,14H,6H2/t8?,9-/m1/s1
InChIKeyYTEBSSOQSNSLEN-YGPZHTELSA-N
XLogP2.05
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 ≤ 52.05
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol?
The IUPAC name of phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol (CID 12037703) is phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol.
What is the SMILES notation for phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol?
The canonical SMILES for phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol is OC(c1ccccc1)[C@@]1(C(F)(F)F)CO1.
What is the InChIKey of phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol?
The InChIKey is YTEBSSOQSNSLEN-YGPZHTELSA-N. The full InChI is InChI=1S/C10H9F3O2/c11-10(12,13)9(6-15-9)8(14)7-4-2-1-3-5-7/h1-5,8,14H,6H2/t8?,9-/m1/s1.
What are the key properties of phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol?
phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol has a molecular weight of 218.17 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol is sourced from PubChem (CID 12037703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).