ethane;(E)-3-fluoro-N-methylbut-2-enamide

C7H14FNO — CID 142290911

IUPACethane;(E)-3-fluoro-N-methylbut-2-enamide
SMILESCC.CNC(=O)/C=C(\C)F
InChIInChI=1S/C5H8FNO.C2H6/c1-4(6)3-5(8)7-2;1-2/h3H,1-2H3,(H,7,8);1-2H3/b4-3+;
InChIKeyHONKWEKJGJEFSQ-BJILWQEISA-N
MW147.19 g/mol
LogP1.63
Rot. Bonds1

About ethane;(E)-3-fluoro-N-methylbut-2-enamide

ethane;(E)-3-fluoro-N-methylbut-2-enamide (PubChem CID 142290911) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is ethane;(E)-3-fluoro-N-methylbut-2-enamide.

Molecular Properties

Compound Nameethane;(E)-3-fluoro-N-methylbut-2-enamide
PubChem CID142290911
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Nameethane;(E)-3-fluoro-N-methylbut-2-enamide
SMILESCC.CNC(=O)/C=C(\C)F
InChIInChI=1S/C5H8FNO.C2H6/c1-4(6)3-5(8)7-2;1-2/h3H,1-2H3,(H,7,8);1-2H3/b4-3+;
InChIKeyHONKWEKJGJEFSQ-BJILWQEISA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-3-fluoro-N-methylbut-2-enamide?
The IUPAC name of ethane;(E)-3-fluoro-N-methylbut-2-enamide (CID 142290911) is ethane;(E)-3-fluoro-N-methylbut-2-enamide.
What is the SMILES notation for ethane;(E)-3-fluoro-N-methylbut-2-enamide?
The canonical SMILES for ethane;(E)-3-fluoro-N-methylbut-2-enamide is CC.CNC(=O)/C=C(\C)F.
What is the InChIKey of ethane;(E)-3-fluoro-N-methylbut-2-enamide?
The InChIKey is HONKWEKJGJEFSQ-BJILWQEISA-N. The full InChI is InChI=1S/C5H8FNO.C2H6/c1-4(6)3-5(8)7-2;1-2/h3H,1-2H3,(H,7,8);1-2H3/b4-3+;.
What are the key properties of ethane;(E)-3-fluoro-N-methylbut-2-enamide?
ethane;(E)-3-fluoro-N-methylbut-2-enamide has a molecular weight of 147.19 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-3-fluoro-N-methylbut-2-enamide is sourced from PubChem (CID 142290911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).