(2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane

C10H10FNO3 — CID 71723426

IUPAC(2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane
SMILESCC[C@@]1([N+](=O)[O-])O[C@H]1c1ccc(F)cc1
InChIInChI=1S/C10H10FNO3/c1-2-10(12(13)14)9(15-10)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3/t9-,10+/m0/s1
InChIKeyUXKZOICNUSNLME-VHSXEESVSA-N
MW211.19 g/mol
LogP2.28
Rot. Bonds3

About (2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane

(2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane (PubChem CID 71723426) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane
PubChem CID71723426
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name(2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane
SMILESCC[C@@]1([N+](=O)[O-])O[C@H]1c1ccc(F)cc1
InChIInChI=1S/C10H10FNO3/c1-2-10(12(13)14)9(15-10)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3/t9-,10+/m0/s1
InChIKeyUXKZOICNUSNLME-VHSXEESVSA-N
XLogP2.28
TPSA55.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(o-Fluorophenyl)-2-nitro-propyl acetate
CID 12050621
(2R,3S)-2-(2,5-Difluorophenyl)tetrahydro-5-methylene-3-nitro-2H-pyran
CID 57424366
(2R,3R)-2-(2,5-difluorophenyl)-5-methylidene-3-nitrooxane
CID 72193183
3-(4-Fluorophenyl)-2-methyl-2-nitrooxirane
CID 78158671
2-Ethyl-3-(4-fluorophenyl)-2-nitrooxirane
CID 78158956
(2R,3S)-2-(2,5-difluorophenyl)-3-nitro-3,4-dihydro-2H-pyran
CID 118683884
Klrrmxjmkkihru-uhfffaoysa-
CID 10798443
[(1R)-1-(4-fluorophenyl)-2-methyl-2-nitropropyl] acetate
CID 101844012
2-(2,5-Difluorophenyl)-3-nitro-3,4-dihydro-2h-pyran
CID 171396613
1-(3,3-Dimethyl-1-nitrobutan-2-yl)oxyethylbenzene
CID 10824644
(2R,3S)-2-methyl-2-nitro-3-phenyloxirane
CID 12246836
Oxirane, 2-methyl-2-nitro-3-phenyl-
CID 10877709

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane?
The IUPAC name of (2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane (CID 71723426) is (2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane.
What is the SMILES notation for (2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane?
The canonical SMILES for (2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane is CC[C@@]1([N+](=O)[O-])O[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane?
The InChIKey is UXKZOICNUSNLME-VHSXEESVSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-2-10(12(13)14)9(15-10)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane?
(2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane has a molecular weight of 211.19 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-3-(4-fluorophenyl)-2-nitrooxirane is sourced from PubChem (CID 71723426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).