3-(4-fluorophenyl)oxirane-2-carboxamide

C9H8FNO2 — CID 53427164

IUPAC3-(4-fluorophenyl)oxirane-2-carboxamide
SMILESNC(=O)C1OC1c1ccc(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)
InChIKeyOJRMJAXAAIKDIP-UHFFFAOYSA-N
MW181.17 g/mol
LogP0.75
Rot. Bonds2

About 3-(4-fluorophenyl)oxirane-2-carboxamide

3-(4-fluorophenyl)oxirane-2-carboxamide (PubChem CID 53427164) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 3-(4-fluorophenyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)oxirane-2-carboxamide
PubChem CID53427164
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name3-(4-fluorophenyl)oxirane-2-carboxamide
SMILESNC(=O)C1OC1c1ccc(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)
InChIKeyOJRMJAXAAIKDIP-UHFFFAOYSA-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

(2R,3S)-3-phenyloxirane-2-carboxamide
CID 10931765
(2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide
CID 135544950
2,2,2-trifluoro-1-[(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]ethanone
CID 135060222
(2-amino-5-bromophenyl)-[(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanone
CID 71492534
3-[(2S,3R)-3-(4-fluorophenyl)oxirane-2-carbonyl]chromen-2-one
CID 11449734
2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 66485215
[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 26985531
(2S,3S)-3-phenyloxirane-2-carboxylic acid
CID 906621
(2R,3S)-3-(2-methylphenyl)oxirane-2-carboxamide
CID 55266155
[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone
CID 135504692
(4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide
CID 774799
[(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol
CID 119084986

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)oxirane-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)oxirane-2-carboxamide (CID 53427164) is 3-(4-fluorophenyl)oxirane-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)oxirane-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)oxirane-2-carboxamide is NC(=O)C1OC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)oxirane-2-carboxamide?
The InChIKey is OJRMJAXAAIKDIP-UHFFFAOYSA-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).
What are the key properties of 3-(4-fluorophenyl)oxirane-2-carboxamide?
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 3-(4-fluorophenyl)oxirane-2-carboxamide is sourced from PubChem (CID 53427164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).