N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane

C12H24FNO — CID 178010245

IUPACN-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane
SMILESC/C=C/CNC(=O)C(C)(F)CCC.CC
InChIInChI=1S/C10H18FNO.C2H6/c1-4-6-8-12-9(13)10(3,11)7-5-2;1-2/h4,6H,5,7-8H2,1-3H3,(H,12,13);1-2H3/b6-4+;
InChIKeyQOQPVZCUHVBIIJ-CVDVRWGVSA-N
MW217.33 g/mol
LogP3.23
Rot. Bonds5

About N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane

N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane (PubChem CID 178010245) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane
PubChem CID178010245
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC NameN-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane
SMILESC/C=C/CNC(=O)C(C)(F)CCC.CC
InChIInChI=1S/C10H18FNO.C2H6/c1-4-6-8-12-9(13)10(3,11)7-5-2;1-2/h4,6H,5,7-8H2,1-3H3,(H,12,13);1-2H3/b6-4+;
InChIKeyQOQPVZCUHVBIIJ-CVDVRWGVSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 53.23
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

N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
CID 14120807
N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide
CID 178011027
[2-[[(E)-but-2-enyl]carbamoyloxymethyl]-2-methylpentyl]carbamic acid
CID 6445222
3,3-difluorohexan-2-one;ethane
CID 144710349
3-fluoro-3-methylhexan-2-one
CID 157210993
N-[(E)-but-2-enyl]-2-ethylpentanamide
CID 178010270
2-fluoro-2-methylpentanamide
CID 134346431
N-[(E)-but-2-enyl]piperidine-4-carboxamide
CID 131242610
2,2,2-trifluoro-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide
CID 167733995
N-[(E)-but-2-enyl]-2-methoxyacetamide
CID 59999383
1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide
CID 54039627
(E)-6,6-difluoronon-2-ene
CID 134343718

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane?
The IUPAC name of N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane (CID 178010245) is N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane?
The canonical SMILES for N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane is C/C=C/CNC(=O)C(C)(F)CCC.CC.
What is the InChIKey of N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane?
The InChIKey is QOQPVZCUHVBIIJ-CVDVRWGVSA-N. The full InChI is InChI=1S/C10H18FNO.C2H6/c1-4-6-8-12-9(13)10(3,11)7-5-2;1-2/h4,6H,5,7-8H2,1-3H3,(H,12,13);1-2H3/b6-4+;.
What are the key properties of N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane?
N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane has a molecular weight of 217.33 g/mol, XLogP of 3.23, 5 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-fluoro-2-methylpentanamide;ethane is sourced from PubChem (CID 178010245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).