(Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one

C6H10FNO2 — CID 143934167

IUPAC(Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one
SMILESCC(=O)/C=C(/C)ON(C)F
InChIInChI=1S/C6H10FNO2/c1-5(9)4-6(2)10-8(3)7/h4H,1-3H3/b6-4-
InChIKeyQOQSBYZBTOVFJU-XQRVVYSFSA-N
MW147.15 g/mol
LogP1.23
Rot. Bonds3

About (Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one

(Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one (PubChem CID 143934167) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is (Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one
PubChem CID143934167
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name(Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one
SMILESCC(=O)/C=C(/C)ON(C)F
InChIInChI=1S/C6H10FNO2/c1-5(9)4-6(2)10-8(3)7/h4H,1-3H3/b6-4-
InChIKeyQOQSBYZBTOVFJU-XQRVVYSFSA-N
XLogP1.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-oxopent-2-en-2-yl N,N-dimethylcarbamate
CID 57243563
[(Z)-4-oxopent-2-en-2-yl] hypoiodite
CID 89073208
(Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one
CID 16717626
CID 140513856
CID 140513856
(Z)-4-dichloroalumanyloxypent-3-en-2-one
CID 16685728
methyl [(E)-4-oxopent-2-en-2-yl] carbonate
CID 10351945
(E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one
CID 16685730
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
4-prop-2-enoxypent-3-en-2-one
CID 71367685
(Z)-4,5-bis(dimethylamino)pent-3-en-2-one
CID 6371132
(3Z)-5-fluoro-4,6-dimethylhepta-3,5-dien-2-one
CID 143118686
(E)-5-methoxy-4,6-dimethylhept-3-en-2-one
CID 87291199

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one?
The IUPAC name of (Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one (CID 143934167) is (Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one.
What is the SMILES notation for (Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one?
The canonical SMILES for (Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one is CC(=O)/C=C(/C)ON(C)F.
What is the InChIKey of (Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one?
The InChIKey is QOQSBYZBTOVFJU-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-5(9)4-6(2)10-8(3)7/h4H,1-3H3/b6-4-.
What are the key properties of (Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one?
(Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one has a molecular weight of 147.15 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one is sourced from PubChem (CID 143934167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).