N-[(E)-but-2-enyl]-2-fluoropropanamide

C7H12FNO — CID 178010144

IUPACN-[(E)-but-2-enyl]-2-fluoropropanamide
SMILESC/C=C/CNC(=O)C(C)F
InChIInChI=1S/C7H12FNO/c1-3-4-5-9-7(10)6(2)8/h3-4,6H,5H2,1-2H3,(H,9,10)/b4-3+
InChIKeyKSXRTSXRKCHNNE-ONEGZZNKSA-N
MW145.18 g/mol
LogP1.04
Rot. Bonds3

About N-[(E)-but-2-enyl]-2-fluoropropanamide

N-[(E)-but-2-enyl]-2-fluoropropanamide (PubChem CID 178010144) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-fluoropropanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-fluoropropanamide
PubChem CID178010144
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC NameN-[(E)-but-2-enyl]-2-fluoropropanamide
SMILESC/C=C/CNC(=O)C(C)F
InChIInChI=1S/C7H12FNO/c1-3-4-5-9-7(10)6(2)8/h3-4,6H,5H2,1-2H3,(H,9,10)/b4-3+
InChIKeyKSXRTSXRKCHNNE-ONEGZZNKSA-N
XLogP1.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-fluoropropanamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-fluoropropanamide (CID 178010144) is N-[(E)-but-2-enyl]-2-fluoropropanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-fluoropropanamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-fluoropropanamide is C/C=C/CNC(=O)C(C)F.
What is the InChIKey of N-[(E)-but-2-enyl]-2-fluoropropanamide?
The InChIKey is KSXRTSXRKCHNNE-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H12FNO/c1-3-4-5-9-7(10)6(2)8/h3-4,6H,5H2,1-2H3,(H,9,10)/b4-3+.
What are the key properties of N-[(E)-but-2-enyl]-2-fluoropropanamide?
N-[(E)-but-2-enyl]-2-fluoropropanamide has a molecular weight of 145.18 g/mol, XLogP of 1.04, 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-fluoropropanamide is sourced from PubChem (CID 178010144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).