2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide

C10H15F2NO2 — CID 104858138

IUPAC2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESO=C(CC1C=CCC1)NCC(F)(F)CO
InChIInChI=1S/C10H15F2NO2/c11-10(12,7-14)6-13-9(15)5-8-3-1-2-4-8/h1,3,8,14H,2,4-7H2,(H,13,15)
InChIKeyVUJKDCUWINLZJG-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.09
Rot. Bonds5

About 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide

2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide (PubChem CID 104858138) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
PubChem CID104858138
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESO=C(CC1C=CCC1)NCC(F)(F)CO
InChIInChI=1S/C10H15F2NO2/c11-10(12,7-14)6-13-9(15)5-8-3-1-2-4-8/h1,3,8,14H,2,4-7H2,(H,13,15)
InChIKeyVUJKDCUWINLZJG-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide
CID 89472517
2-cyclopent-2-en-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86928864
2-cyclopent-2-en-1-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 91662712
2-[(1R)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 99859432
2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 99859433
2-cyclopent-2-en-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723249
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide
CID 103723265
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide
CID 103726425
N-(3,3-difluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide
CID 103769698
2-cyclopent-2-en-1-yl-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103770223
N-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide
CID 103770473
N-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide
CID 104857134

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide (CID 104858138) is 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide is O=C(CC1C=CCC1)NCC(F)(F)CO.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The InChIKey is VUJKDCUWINLZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c11-10(12,7-14)6-13-9(15)5-8-3-1-2-4-8/h1,3,8,14H,2,4-7H2,(H,13,15).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide has a molecular weight of 219.23 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide is sourced from PubChem (CID 104858138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).