(1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol

C10H9Cl3O2 — CID 10989251

IUPAC(1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol
SMILESO[C@H]([C@@H]1O[C@H]1c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H9Cl3O2/c11-10(12,13)9(14)8-7(15-8)6-4-2-1-3-5-6/h1-5,7-9,14H/t7-,8+,9+/m0/s1
InChIKeyQGMPDCSRLPESFT-DJLDLDEBSA-N
MW267.54 g/mol
LogP2.86
Rot. Bonds2

About (1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol

(1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol (PubChem CID 10989251) has the molecular formula C10H9Cl3O2 and a molecular weight of 267.54 g/mol. Its IUPAC name is (1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol
PubChem CID10989251
Molecular FormulaC10H9Cl3O2
Molecular Weight267.54 g/mol
Exact Mass265.97
IUPAC Name(1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol
SMILESO[C@H]([C@@H]1O[C@H]1c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H9Cl3O2/c11-10(12,13)9(14)8-7(15-8)6-4-2-1-3-5-6/h1-5,7-9,14H/t7-,8+,9+/m0/s1
InChIKeyQGMPDCSRLPESFT-DJLDLDEBSA-N
XLogP2.86
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.54
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R)-3-phenyloxiran-2-yl]methanediol
CID 15197389
(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
CID 10631104
[(1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethyl] benzoate
CID 101115504
(E,1R)-3-phenyl-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
CID 12035677
1-(3-phenyloxiran-2-yl)pentan-1-ol
CID 12642701
6-(3-phenyloxiran-2-yl)heptane-2,2,5-triol
CID 139803227
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol
CID 46863006
(1R)-3-(4-bromophenyl)-1-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-ol
CID 165413358
(2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol
CID 135446200
[(1S)-1-[(2R,3S)-3-phenyloxiran-2-yl]ethyl] benzoate
CID 135903539
5-chloro-2-[hydroxy-[(2R,3S)-3-phenyloxiran-2-yl]methyl]-1-benzofuran-3-one
CID 135958935

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol?
The IUPAC name of (1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol (CID 10989251) is (1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol.
What is the SMILES notation for (1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol?
The canonical SMILES for (1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol is O[C@H]([C@@H]1O[C@H]1c1ccccc1)C(Cl)(Cl)Cl.
What is the InChIKey of (1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol?
The InChIKey is QGMPDCSRLPESFT-DJLDLDEBSA-N. The full InChI is InChI=1S/C10H9Cl3O2/c11-10(12,13)9(14)8-7(15-8)6-4-2-1-3-5-6/h1-5,7-9,14H/t7-,8+,9+/m0/s1.
What are the key properties of (1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol?
(1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol has a molecular weight of 267.54 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol is sourced from PubChem (CID 10989251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).