2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoroacetamide

C10H8F3NO2 — CID 19973093

IUPAC2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoroacetamide
SMILESNC(=O)C(F)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C10H8F3NO2/c11-5-1-2-6(7(12)3-5)10(4-16-10)8(13)9(14)15/h1-3,8H,4H2,(H2,14,15)
InChIKeyRVKMKXHIOYNNCK-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.01
Rot. Bonds3

About 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoroacetamide

2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoroacetamide (PubChem CID 19973093) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoroacetamide.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoroacetamide
PubChem CID19973093
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoroacetamide
SMILESNC(=O)C(F)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C10H8F3NO2/c11-5-1-2-6(7(12)3-5)10(4-16-10)8(13)9(14)15/h1-3,8H,4H2,(H2,14,15)
InChIKeyRVKMKXHIOYNNCK-UHFFFAOYSA-N
XLogP1.01
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.01
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

3-Methyl-3-phenyloxirane-2-carboximidic acid
CID 32382
Oxiranecarboxamide, 3-phenyl-, (2R,3S)-rel-
CID 10931765
3-[(3,4-Difluorophenyl)methoxy]butanamide
CID 91805047
trans-3-[2-(Trifluoromethyl)phenyl]-2,3-epoxy-propionic acid amide
CID 132427165
3-(4-Fluorophenyl)-2,2-oxiranedicarboxamide
CID 2849441
(2R,3S)-3-(4-fluorophenyl)oxirane-2-carboxamide
CID 55266156
3-(4-Fluorophenyl)-3-hydroxypentanamide
CID 11820458
2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide
CID 18955394
2-[2-(2,4-Difluorophenyl)oxiran-2-yl]-2-fluoropropanamide
CID 19973080
2-Fluoro-3-methoxy-3-phenylbutanamide
CID 57021177
4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 59568769
4-(2-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 59568773

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoroacetamide?
The IUPAC name of 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoroacetamide (CID 19973093) is 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoroacetamide.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoroacetamide?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoroacetamide is NC(=O)C(F)C1(c2ccc(F)cc2F)CO1.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoroacetamide?
The InChIKey is RVKMKXHIOYNNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-5-1-2-6(7(12)3-5)10(4-16-10)8(13)9(14)15/h1-3,8H,4H2,(H2,14,15).
What are the key properties of 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoroacetamide?
2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoroacetamide has a molecular weight of 231.17 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoroacetamide is sourced from PubChem (CID 19973093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).