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

C9H15F2NO2 — CID 107483244

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pent-4-enamide
SMILESC=CCCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H15F2NO2/c1-2-3-4-9(14)12(5-6-13)7-8(10)11/h2,8,13H,1,3-7H2
InChIKeySHJUSYRRUISVRV-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.04
Rot. Bonds7

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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pent-4-enamide (PubChem CID 107483244) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pent-4-enamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pent-4-enamide
PubChem CID107483244
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pent-4-enamide
SMILESC=CCCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H15F2NO2/c1-2-3-4-9(14)12(5-6-13)7-8(10)11/h2,8,13H,1,3-7H2
InChIKeySHJUSYRRUISVRV-UHFFFAOYSA-N
XLogP1.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-methylpent-4-enamide
CID 23337149
2-[Pent-4-enoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79260507
N-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide
CID 103726462
N-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide
CID 103769689
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 103857374
2,2,3,3-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 103860932
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-3-ene-1-carboxamide
CID 103915581
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)but-3-enamide
CID 107482503
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide
CID 107482810
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide
CID 107483360
2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 108092815
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide
CID 115775996

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pent-4-enamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pent-4-enamide (CID 107483244) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pent-4-enamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pent-4-enamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pent-4-enamide is C=CCCC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pent-4-enamide?
The InChIKey is SHJUSYRRUISVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-2-3-4-9(14)12(5-6-13)7-8(10)11/h2,8,13H,1,3-7H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pent-4-enamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pent-4-enamide has a molecular weight of 207.22 g/mol, XLogP of 1.04, 7 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)pent-4-enamide is sourced from PubChem (CID 107483244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).