N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide

C10H14F3NO2 — CID 103915581

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(C1CC=CC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)7-14(5-6-15)9(16)8-3-1-2-4-8/h1-2,8,15H,3-7H2
InChIKeyBCPDNQCBCBMKDL-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.34
Rot. Bonds4

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide (PubChem CID 103915581) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide
PubChem CID103915581
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(C1CC=CC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)7-14(5-6-15)9(16)8-3-1-2-4-8/h1-2,8,15H,3-7H2
InChIKeyBCPDNQCBCBMKDL-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
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-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide (CID 103915581) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide is O=C(C1CC=CC1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is BCPDNQCBCBMKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c11-10(12,13)7-14(5-6-15)9(16)8-3-1-2-4-8/h1-2,8,15H,3-7H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 237.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 103915581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).