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

C10H15F2NO2 — CID 103770223

IUPAC2-cyclopent-2-en-1-yl-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1C=CCC1)NCC(O)C(F)F
InChIInChI=1S/C10H15F2NO2/c11-10(12)8(14)6-13-9(15)5-7-3-1-2-4-7/h1,3,7-8,10,14H,2,4-6H2,(H,13,15)
InChIKeyTUVJMSRVTUTZCK-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.08
Rot. Bonds5

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

2-cyclopent-2-en-1-yl-N-(3,3-difluoro-2-hydroxypropyl)acetamide (PubChem CID 103770223) 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-(3,3-difluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(3,3-difluoro-2-hydroxypropyl)acetamide
PubChem CID103770223
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name2-cyclopent-2-en-1-yl-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1C=CCC1)NCC(O)C(F)F
InChIInChI=1S/C10H15F2NO2/c11-10(12)8(14)6-13-9(15)5-7-3-1-2-4-7/h1,3,7-8,10,14H,2,4-6H2,(H,13,15)
InChIKeyTUVJMSRVTUTZCK-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(3,3-difluoro-2-hydroxypropyl)acetamide (CID 103770223) is 2-cyclopent-2-en-1-yl-N-(3,3-difluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(3,3-difluoro-2-hydroxypropyl)acetamide is O=C(CC1C=CCC1)NCC(O)C(F)F.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The InChIKey is TUVJMSRVTUTZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c11-10(12)8(14)6-13-9(15)5-7-3-1-2-4-7/h1,3,7-8,10,14H,2,4-6H2,(H,13,15).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
2-cyclopent-2-en-1-yl-N-(3,3-difluoro-2-hydroxypropyl)acetamide has a molecular weight of 219.23 g/mol, XLogP of 1.08, 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-(3,3-difluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103770223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).