2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide

C14H13F4NO2 — CID 18955394

IUPAC2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide
SMILESCC1(NC(=O)C(F)(F)C2(c3ccc(F)cc3F)CO2)CC1
InChIInChI=1S/C14H13F4NO2/c1-12(4-5-12)19-11(20)14(17,18)13(7-21-13)9-3-2-8(15)6-10(9)16/h2-3,6H,4-5,7H2,1H3,(H,19,20)
InChIKeyTYUIUDYJNKGRPT-UHFFFAOYSA-N
MW303.25 g/mol
LogP2.49
Rot. Bonds4

About 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide

2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide (PubChem CID 18955394) has the molecular formula C14H13F4NO2 and a molecular weight of 303.25 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide
PubChem CID18955394
Molecular FormulaC14H13F4NO2
Molecular Weight303.25 g/mol
Exact Mass303.09
IUPAC Name2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide
SMILESCC1(NC(=O)C(F)(F)C2(c3ccc(F)cc3F)CO2)CC1
InChIInChI=1S/C14H13F4NO2/c1-12(4-5-12)19-11(20)14(17,18)13(7-21-13)9-3-2-8(15)6-10(9)16/h2-3,6H,4-5,7H2,1H3,(H,19,20)
InChIKeyTYUIUDYJNKGRPT-UHFFFAOYSA-N
XLogP2.49
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 52.49
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

2-[2-(2,4-Difluorophenyl)oxiran-2-yl]-2-fluoropropanamide
CID 19973080
2-[2-(2,4-Difluorophenyl)oxiran-2-yl]-2-fluoroacetamide
CID 19973093
1,2,2-Trifluoro-3-methoxy-3-phenylcyclopropane-1-carboxamide
CID 69582444
3-(4-Fluorophenyl)-3-methoxybutanamide
CID 90728893
2-Methoxy-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 142691175
3-(2,4-difluorophenyl)-3-hydroxy-N-[1-[5-methoxy-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-dien-1-yl]cyclopropyl]butanamide
CID 178606385
(1R,2R,3S)-N-tert-butyl-2-methyl-2-phenyl-3-phenylmethoxycyclopropane-1-carboxamide
CID 102497858

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide?
The IUPAC name of 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide (CID 18955394) is 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide is CC1(NC(=O)C(F)(F)C2(c3ccc(F)cc3F)CO2)CC1.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide?
The InChIKey is TYUIUDYJNKGRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NO2/c1-12(4-5-12)19-11(20)14(17,18)13(7-21-13)9-3-2-8(15)6-10(9)16/h2-3,6H,4-5,7H2,1H3,(H,19,20).
What are the key properties of 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide?
2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide has a molecular weight of 303.25 g/mol, XLogP of 2.49, 4 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]-2,2-difluoro-N-(1-methylcyclopropyl)acetamide is sourced from PubChem (CID 18955394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).