N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide

C9H14F3NO2 — CID 103857374

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide
SMILESC=CCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-2-3-4-8(15)13(5-6-14)7-9(10,11)12/h2,14H,1,3-7H2
InChIKeyDQNPEHCZRSGMMB-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.34
Rot. Bonds6

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide (PubChem CID 103857374) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide
PubChem CID103857374
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide
SMILESC=CCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-2-3-4-8(15)13(5-6-14)7-9(10,11)12/h2,14H,1,3-7H2
InChIKeyDQNPEHCZRSGMMB-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
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)pent-4-enamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide (CID 103857374) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide is C=CCCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide?
The InChIKey is DQNPEHCZRSGMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-2-3-4-8(15)13(5-6-14)7-9(10,11)12/h2,14H,1,3-7H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide has a molecular weight of 225.21 g/mol, XLogP of 1.34, 6 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)pent-4-enamide is sourced from PubChem (CID 103857374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).