N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane

C11H19F2NO — CID 178011026

IUPACN-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane
SMILESC/C=C/CNC(=O)C(F)(F)C1CC1.CC
InChIInChI=1S/C9H13F2NO.C2H6/c1-2-3-6-12-8(13)9(10,11)7-4-5-7;1-2/h2-3,7H,4-6H2,1H3,(H,12,13);1-2H3/b3-2+;
InChIKeyUISOZCUHNAFOJU-SQQVDAMQSA-N
MW219.27 g/mol
LogP2.75
Rot. Bonds4

About N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane

N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane (PubChem CID 178011026) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane
PubChem CID178011026
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC NameN-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane
SMILESC/C=C/CNC(=O)C(F)(F)C1CC1.CC
InChIInChI=1S/C9H13F2NO.C2H6/c1-2-3-6-12-8(13)9(10,11)7-4-5-7;1-2/h2-3,7H,4-6H2,1H3,(H,12,13);1-2H3/b3-2+;
InChIKeyUISOZCUHNAFOJU-SQQVDAMQSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-methyl-N-prop-2-enyl-2-(trifluoromethyl)pentanamide
CID 132064133
N-[(2E)-2,5-dimethylhexa-2,4-dienyl]-3,3-difluorocyclobutane-1-carboxamide
CID 166927491
5,5-difluoro-N-prop-2-enylpentanamide
CID 176815907
2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide
CID 178010167
1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide
CID 178010707
N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane
CID 178010795
N-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide
CID 178011001
2-cyclopropyl-2,2-difluoro-N-prop-2-enylacetamide
CID 178011388
N-[(E)-but-2-enyl]-1-(fluoromethyl)cyclopropane-1-carboxamide
CID 178011551
N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane
CID 178011570
2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide
CID 127001204
N-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide
CID 130611636

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane?
The IUPAC name of N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane (CID 178011026) is N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane?
The canonical SMILES for N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane is C/C=C/CNC(=O)C(F)(F)C1CC1.CC.
What is the InChIKey of N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane?
The InChIKey is UISOZCUHNAFOJU-SQQVDAMQSA-N. The full InChI is InChI=1S/C9H13F2NO.C2H6/c1-2-3-6-12-8(13)9(10,11)7-4-5-7;1-2/h2-3,7H,4-6H2,1H3,(H,12,13);1-2H3/b3-2+;.
What are the key properties of N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane?
N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane has a molecular weight of 219.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane is sourced from PubChem (CID 178011026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).