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

C9H9FO2 — CID 119084986

IUPAC[(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol
SMILESOC[C@@H]1O[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C9H9FO2/c10-7-3-1-6(2-4-7)9-8(5-11)12-9/h1-4,8-9,11H,5H2/t8-,9+/m0/s1
InChIKeyLTNNWDJMVWKQNO-DTWKUNHWSA-N
MW168.17 g/mol
LogP1.26
Rot. Bonds2

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

[(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol (PubChem CID 119084986) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is [(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol
PubChem CID119084986
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name[(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol
SMILESOC[C@@H]1O[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C9H9FO2/c10-7-3-1-6(2-4-7)9-8(5-11)12-9/h1-4,8-9,11H,5H2/t8-,9+/m0/s1
InChIKeyLTNNWDJMVWKQNO-DTWKUNHWSA-N
XLogP1.26
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.26
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

[(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol
CID 162540634
[(2S,3R)-3-(4-nitrophenyl)oxiran-2-yl]methanol
CID 15678237
(2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 101183405
[3-(4-fluorophenyl)-4-methyl-1,2-oxazolidin-5-yl]methanol
CID 139641920
[(2S,3S)-3-[3-(trifluoromethyl)phenyl]oxiran-2-yl]methanol
CID 22840453
2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol
CID 123302128
[(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol
CID 54327905
(3R,5S)-2-[4-chloro-3-[(4-fluorophenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 174314453
(2S,3R,4R,5S)-2-(4-chlorophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 175028100
(2R,3R,4R,5S,6S)-2-(4-bromophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 125425129
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
(1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol
CID 132564473

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol (CID 119084986) is [(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol is OC[C@@H]1O[C@@H]1c1ccc(F)cc1.
What is the InChIKey of [(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol?
The InChIKey is LTNNWDJMVWKQNO-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H9FO2/c10-7-3-1-6(2-4-7)9-8(5-11)12-9/h1-4,8-9,11H,5H2/t8-,9+/m0/s1.
What are the key properties of [(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol?
[(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol has a molecular weight of 168.17 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol is sourced from PubChem (CID 119084986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).