(E)-5-(2-fluoroethylamino)pent-3-en-2-one

C7H12FNO — CID 177231063

IUPAC(E)-5-(2-fluoroethylamino)pent-3-en-2-one
SMILESCC(=O)/C=C/CNCCF
InChIInChI=1S/C7H12FNO/c1-7(10)3-2-5-9-6-4-8/h2-3,9H,4-6H2,1H3/b3-2+
InChIKeyJTMPUGMXTBJJNF-NSCUHMNNSA-N
MW145.18 g/mol
LogP0.69
Rot. Bonds5

About (E)-5-(2-fluoroethylamino)pent-3-en-2-one

(E)-5-(2-fluoroethylamino)pent-3-en-2-one (PubChem CID 177231063) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (E)-5-(2-fluoroethylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-(2-fluoroethylamino)pent-3-en-2-one
PubChem CID177231063
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(E)-5-(2-fluoroethylamino)pent-3-en-2-one
SMILESCC(=O)/C=C/CNCCF
InChIInChI=1S/C7H12FNO/c1-7(10)3-2-5-9-6-4-8/h2-3,9H,4-6H2,1H3/b3-2+
InChIKeyJTMPUGMXTBJJNF-NSCUHMNNSA-N
XLogP0.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-fluoroethylamino)pent-3-en-2-one?
The IUPAC name of (E)-5-(2-fluoroethylamino)pent-3-en-2-one (CID 177231063) is (E)-5-(2-fluoroethylamino)pent-3-en-2-one.
What is the SMILES notation for (E)-5-(2-fluoroethylamino)pent-3-en-2-one?
The canonical SMILES for (E)-5-(2-fluoroethylamino)pent-3-en-2-one is CC(=O)/C=C/CNCCF.
What is the InChIKey of (E)-5-(2-fluoroethylamino)pent-3-en-2-one?
The InChIKey is JTMPUGMXTBJJNF-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H12FNO/c1-7(10)3-2-5-9-6-4-8/h2-3,9H,4-6H2,1H3/b3-2+.
What are the key properties of (E)-5-(2-fluoroethylamino)pent-3-en-2-one?
(E)-5-(2-fluoroethylamino)pent-3-en-2-one has a molecular weight of 145.18 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-fluoroethylamino)pent-3-en-2-one is sourced from PubChem (CID 177231063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).