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

C11H10F3NO2 — CID 19973080

IUPAC2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoropropanamide
SMILESCC(F)(C(N)=O)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C11H10F3NO2/c1-10(14,9(15)16)11(5-17-11)7-3-2-6(12)4-8(7)13/h2-4H,5H2,1H3,(H2,15,16)
InChIKeyKJJCEVYRFFVIAQ-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.40
Rot. Bonds3

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

2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoropropanamide (PubChem CID 19973080) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoropropanamide.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoropropanamide
PubChem CID19973080
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoropropanamide
SMILESCC(F)(C(N)=O)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C11H10F3NO2/c1-10(14,9(15)16)11(5-17-11)7-3-2-6(12)4-8(7)13/h2-4H,5H2,1H3,(H2,15,16)
InChIKeyKJJCEVYRFFVIAQ-UHFFFAOYSA-N
XLogP1.40
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.40
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 32382
CID 32382
CID 91805047
CID 91805047
CID 132427165
CID 132427165
CID 101229694
CID 101229694
CID 2849441
CID 2849441
CID 55266156
CID 55266156
CID 11820458
CID 11820458
CID 18955394
CID 18955394
CID 19973093
CID 19973093
CID 57021177
CID 57021177
CID 59568769
CID 59568769
CID 59568773
CID 59568773

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoropropanamide?
The IUPAC name of 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoropropanamide (CID 19973080) is 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoropropanamide.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoropropanamide?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoropropanamide is CC(F)(C(N)=O)C1(c2ccc(F)cc2F)CO1.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoropropanamide?
The InChIKey is KJJCEVYRFFVIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-10(14,9(15)16)11(5-17-11)7-3-2-6(12)4-8(7)13/h2-4H,5H2,1H3,(H2,15,16).
What are the key properties of 2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoropropanamide?
2-[2-(2,4-difluorophenyl)oxiran-2-yl]-2-fluoropropanamide has a molecular weight of 245.20 g/mol, XLogP of 1.40, 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-fluoropropanamide is sourced from PubChem (CID 19973080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).