N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane

C12H23F2NO — CID 178011570

IUPACN-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane
SMILESC/C=C/CNC(=O)C1CC1(F)F.CC.CC
InChIInChI=1S/C8H11F2NO.2C2H6/c1-2-3-4-11-7(12)6-5-8(6,9)10;2*1-2/h2-3,6H,4-5H2,1H3,(H,11,12);2*1-2H3/b3-2+;;
InChIKeyVXTQQKHTXIPIII-WTVBWJGASA-N
MW235.32 g/mol
LogP3.39
Rot. Bonds3

About N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane

N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane (PubChem CID 178011570) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane
PubChem CID178011570
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC NameN-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane
SMILESC/C=C/CNC(=O)C1CC1(F)F.CC.CC
InChIInChI=1S/C8H11F2NO.2C2H6/c1-2-3-4-11-7(12)6-5-8(6,9)10;2*1-2/h2-3,6H,4-5H2,1H3,(H,11,12);2*1-2H3/b3-2+;;
InChIKeyVXTQQKHTXIPIII-WTVBWJGASA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 53.39
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

(1S)-2,2-difluoro-N-hex-1-en-3-ylcyclopropane-1-carboxamide
CID 156091574
(1S)-2,2-difluoro-N-pent-4-en-2-ylcyclopropane-1-carboxamide
CID 156302655
(E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide
CID 166767269
(1S)-N-[(2R)-but-3-en-2-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 167134956
3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide
CID 169160558
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]-3-fluoro-2,2-dimethylpropanamide
CID 178010842
N-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide
CID 178011001
N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane
CID 178011026
2-cyclopropyl-2,2-difluoro-N-prop-2-enylacetamide
CID 178011388
N-[(E)-but-2-enyl]-1-(fluoromethyl)cyclopropane-1-carboxamide
CID 178011551

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane?
The IUPAC name of N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane (CID 178011570) is N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane.
What is the SMILES notation for N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane?
The canonical SMILES for N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane is C/C=C/CNC(=O)C1CC1(F)F.CC.CC.
What is the InChIKey of N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane?
The InChIKey is VXTQQKHTXIPIII-WTVBWJGASA-N. The full InChI is InChI=1S/C8H11F2NO.2C2H6/c1-2-3-4-11-7(12)6-5-8(6,9)10;2*1-2/h2-3,6H,4-5H2,1H3,(H,11,12);2*1-2H3/b3-2+;;.
What are the key properties of N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane?
N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane has a molecular weight of 235.32 g/mol, XLogP of 3.39, 3 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]-2,2-difluorocyclopropane-1-carboxamide;ethane is sourced from PubChem (CID 178011570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).