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

C10H14F3NO2 — CID 103723249

IUPAC2-cyclopent-2-en-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1C=CCC1)NCC(O)C(F)(F)F
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)8(15)6-14-9(16)5-7-3-1-2-4-7/h1,3,7-8,15H,2,4-6H2,(H,14,16)
InChIKeyFAIKIWZYWLARGI-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.38
Rot. Bonds4

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

2-cyclopent-2-en-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103723249) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103723249
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name2-cyclopent-2-en-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1C=CCC1)NCC(O)C(F)(F)F
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)8(15)6-14-9(16)5-7-3-1-2-4-7/h1,3,7-8,15H,2,4-6H2,(H,14,16)
InChIKeyFAIKIWZYWLARGI-UHFFFAOYSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.38
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-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103723249) is 2-cyclopent-2-en-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(CC1C=CCC1)NCC(O)C(F)(F)F.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is FAIKIWZYWLARGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c11-10(12,13)8(15)6-14-9(16)5-7-3-1-2-4-7/h1,3,7-8,15H,2,4-6H2,(H,14,16).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-cyclopent-2-en-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 237.22 g/mol, XLogP of 1.38, 4 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-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103723249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).