(1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol

C10H11FO2 — CID 132564473

IUPAC(1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol
SMILESC[C@H](O)[C@@H]1O[C@H]1c1ccc(F)cc1
InChIInChI=1S/C10H11FO2/c1-6(12)9-10(13-9)7-2-4-8(11)5-3-7/h2-6,9-10,12H,1H3/t6-,9-,10-/m0/s1
InChIKeyVHMMHQKLEIWGRT-JUWDTYFHSA-N
MW182.19 g/mol
LogP1.65
Rot. Bonds2

About (1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol

(1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol (PubChem CID 132564473) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol
PubChem CID132564473
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name(1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol
SMILESC[C@H](O)[C@@H]1O[C@H]1c1ccc(F)cc1
InChIInChI=1S/C10H11FO2/c1-6(12)9-10(13-9)7-2-4-8(11)5-3-7/h2-6,9-10,12H,1H3/t6-,9-,10-/m0/s1
InChIKeyVHMMHQKLEIWGRT-JUWDTYFHSA-N
XLogP1.65
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.65
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

1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]pentan-1-ol
CID 122208201
[(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol
CID 119084986
3-(4-fluorophenyl)oxirane-2-carboxamide
CID 53427164
(1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 67131561
2,2,2-trifluoro-1-[(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]ethanone
CID 135060222
(1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol
CID 46863006
(1R)-2,2,2-trichloro-1-[(2S,3S)-3-phenyloxiran-2-yl]ethanol
CID 10989251
(2S,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 10796683
(2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane
CID 101459506
(2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol
CID 135446200
(2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol
CID 145143909
1-[2-[(4-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294524

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol (CID 132564473) is (1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol is C[C@H](O)[C@@H]1O[C@H]1c1ccc(F)cc1.
What is the InChIKey of (1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol?
The InChIKey is VHMMHQKLEIWGRT-JUWDTYFHSA-N. The full InChI is InChI=1S/C10H11FO2/c1-6(12)9-10(13-9)7-2-4-8(11)5-3-7/h2-6,9-10,12H,1H3/t6-,9-,10-/m0/s1.
What are the key properties of (1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol?
(1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol has a molecular weight of 182.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol is sourced from PubChem (CID 132564473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).