(2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide

C9H8FNO2 — CID 55266156

IUPAC(2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide
SMILESNC(=O)[C@@H]1O[C@H]1c1ccc(F)cc1
InChIInChI=1S/C9H8FNO2/c10-6-3-1-5(2-4-6)7-8(13-7)9(11)12/h1-4,7-8H,(H2,11,12)/t7-,8+/m0/s1
InChIKeyOJRMJAXAAIKDIP-JGVFFNPUSA-N
MW181.17 g/mol
LogP0.75
Rot. Bonds2

About (2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide

(2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide (PubChem CID 55266156) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is (2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide
PubChem CID55266156
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name(2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide
SMILESNC(=O)[C@@H]1O[C@H]1c1ccc(F)cc1
InChIInChI=1S/C9H8FNO2/c10-6-3-1-5(2-4-6)7-8(13-7)9(11)12/h1-4,7-8H,(H2,11,12)/t7-,8+/m0/s1
InChIKeyOJRMJAXAAIKDIP-JGVFFNPUSA-N
XLogP0.75
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.75
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

CID 3434340
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CID 4557691
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CID 32382
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CID 344960
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CID 344721
CID 344721
CID 226476
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CID 10931765
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CID 14288125
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CID 24787228
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CID 91805047
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CID 132427165
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide?
The IUPAC name of (2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide (CID 55266156) is (2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide is NC(=O)[C@@H]1O[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide?
The InChIKey is OJRMJAXAAIKDIP-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H8FNO2/c10-6-3-1-5(2-4-6)7-8(13-7)9(11)12/h1-4,7-8H,(H2,11,12)/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide?
(2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide has a molecular weight of 181.17 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide is sourced from PubChem (CID 55266156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).