N,N-diethyl-2,2-difluoropent-4-enamide

C9H15F2NO — CID 86259330

IUPACN,N-diethyl-2,2-difluoropent-4-enamide
SMILESC=CCC(F)(F)C(=O)N(CC)CC
InChIInChI=1S/C9H15F2NO/c1-4-7-9(10,11)8(13)12(5-2)6-3/h4H,1,5-7H2,2-3H3
InChIKeyIVZIYGYVGGTEBH-UHFFFAOYSA-N
MW191.22 g/mol
LogP2.07
Rot. Bonds5

About N,N-diethyl-2,2-difluoropent-4-enamide

N,N-diethyl-2,2-difluoropent-4-enamide (PubChem CID 86259330) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is N,N-diethyl-2,2-difluoropent-4-enamide.

Molecular Properties

Compound NameN,N-diethyl-2,2-difluoropent-4-enamide
PubChem CID86259330
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC NameN,N-diethyl-2,2-difluoropent-4-enamide
SMILESC=CCC(F)(F)C(=O)N(CC)CC
InChIInChI=1S/C9H15F2NO/c1-4-7-9(10,11)8(13)12(5-2)6-3/h4H,1,5-7H2,2-3H3
InChIKeyIVZIYGYVGGTEBH-UHFFFAOYSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Pentenamide, N,N-diethyl-
CID 547369
N,N-diethyl-2-fluoro-3-methylpent-4-enamide
CID 86259336
N,N-diethyl-4-fluoro-2-(trifluoromethyl)pent-4-enamide
CID 134862993
N,N-diisopropylpent-4-enamide
CID 86248502
N-(3,3-difluoroprop-2-enyl)-N-methylbutanamide
CID 20644845
2,2,2-Trifluoro-N-(hex-5-EN-1-YL)-N-methylacetamide
CID 57578759
2,2-Difluoro-1-(pyrrolidin-1-yl)pent-4-en-1-one
CID 69671657
2,2,3,3,4,4,4-heptafluoro-N,N-di(prop-2-en-1-yl)butanamide
CID 85804221
2-fluoro-N-hex-5-enyl-N-methylacetamide
CID 88849060
2-fluoro-N-methyl-N-prop-2-enylbutanamide
CID 90392547
2,2,2-Trifluoro-N-methyl-N-(pent-4-en-1-yl)acetamide
CID 115640378
1-(3,6-dihydro-2H-pyridin-1-yl)-4,4,4-trifluorobutan-1-one
CID 117950859

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2-difluoropent-4-enamide?
The IUPAC name of N,N-diethyl-2,2-difluoropent-4-enamide (CID 86259330) is N,N-diethyl-2,2-difluoropent-4-enamide.
What is the SMILES notation for N,N-diethyl-2,2-difluoropent-4-enamide?
The canonical SMILES for N,N-diethyl-2,2-difluoropent-4-enamide is C=CCC(F)(F)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2,2-difluoropent-4-enamide?
The InChIKey is IVZIYGYVGGTEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-4-7-9(10,11)8(13)12(5-2)6-3/h4H,1,5-7H2,2-3H3.
What are the key properties of N,N-diethyl-2,2-difluoropent-4-enamide?
N,N-diethyl-2,2-difluoropent-4-enamide has a molecular weight of 191.22 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-difluoropent-4-enamide is sourced from PubChem (CID 86259330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).