(E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one

C8H14FNO — CID 142388492

IUPAC(E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one
SMILESCC(=O)/C=C/CN(C)CCF
InChIInChI=1S/C8H14FNO/c1-8(11)4-3-6-10(2)7-5-9/h3-4H,5-7H2,1-2H3/b4-3+
InChIKeyPMTYQVLXDBSLOZ-ONEGZZNKSA-N
MW159.20 g/mol
LogP1.03
Rot. Bonds5

About (E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one

(E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one (PubChem CID 142388492) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one
PubChem CID142388492
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one
SMILESCC(=O)/C=C/CN(C)CCF
InChIInChI=1S/C8H14FNO/c1-8(11)4-3-6-10(2)7-5-9/h3-4H,5-7H2,1-2H3/b4-3+
InChIKeyPMTYQVLXDBSLOZ-ONEGZZNKSA-N
XLogP1.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one
CID 177231663
(E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one
CID 177230684
(E)-5-[methyl-[3-(oxiran-2-yl)butyl]amino]pent-3-en-2-one
CID 174357967
4-[methyl(propyl)amino]but-2-enoic acid
CID 76941132
(E)-5-[tert-butyl(methyl)amino]pent-3-en-2-one;ethane
CID 177230632
(E)-4-[3-(dimethylamino)propyl-methylamino]but-2-enoic acid
CID 63693869
ethyl (E)-4-[3-aminopropyl(methyl)amino]but-2-enoate
CID 115319155
ethyl (E)-4-[methyl(propyl)amino]but-2-enoate
CID 80549164
ethane;(E)-5-(N-methylanilino)pent-3-en-2-one
CID 177230438
(Z)-6-(dimethylamino)-1-[methyl(4-oxopent-2-ynyl)amino]hex-4-en-3-one
CID 167080152
2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride
CID 18002375
(E)-4-[ethyl(methyl)amino]but-2-enoyl iodide
CID 118400736

Frequently Asked Questions

What is the IUPAC name of (E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one?
The IUPAC name of (E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one (CID 142388492) is (E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one.
What is the SMILES notation for (E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one?
The canonical SMILES for (E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one is CC(=O)/C=C/CN(C)CCF.
What is the InChIKey of (E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one?
The InChIKey is PMTYQVLXDBSLOZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H14FNO/c1-8(11)4-3-6-10(2)7-5-9/h3-4H,5-7H2,1-2H3/b4-3+.
What are the key properties of (E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one?
(E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one has a molecular weight of 159.20 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one is sourced from PubChem (CID 142388492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).