N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide

C10H15F2NO2 — CID 107482548

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H15F2NO2/c1-2-3-4-5-10(15)13(6-7-14)8-9(11)12/h2-5,9,14H,6-8H2,1H3
InChIKeyUKOBAXZAGVDLOO-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.20
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide (PubChem CID 107482548) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide
PubChem CID107482548
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H15F2NO2/c1-2-3-4-5-10(15)13(6-7-14)8-9(11)12/h2-5,9,14H,6-8H2,1H3
InChIKeyUKOBAXZAGVDLOO-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide (CID 107482548) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide is CC=CC=CC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide?
The InChIKey is UKOBAXZAGVDLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-2-3-4-5-10(15)13(6-7-14)8-9(11)12/h2-5,9,14H,6-8H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide has a molecular weight of 219.23 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide is sourced from PubChem (CID 107482548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).