N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide

C9H12F3NO2 — CID 103726425

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CC=CC1
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)7(14)5-13-8(15)6-3-1-2-4-6/h1-2,6-7,14H,3-5H2,(H,13,15)
InChIKeyCCJLGVJYPIZCGV-UHFFFAOYSA-N
MW223.19 g/mol
LogP0.99
Rot. Bonds3

About N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide

N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide (PubChem CID 103726425) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide
PubChem CID103726425
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CC=CC1
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)7(14)5-13-8(15)6-3-1-2-4-6/h1-2,6-7,14H,3-5H2,(H,13,15)
InChIKeyCCJLGVJYPIZCGV-UHFFFAOYSA-N
XLogP0.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.99
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 N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide (CID 103726425) is N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide is O=C(NCC(O)C(F)(F)F)C1CC=CC1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is CCJLGVJYPIZCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c10-9(11,12)7(14)5-13-8(15)6-3-1-2-4-6/h1-2,6-7,14H,3-5H2,(H,13,15).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 223.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 103726425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).