(Z)-4-fluoro-2-methyl-6-(methylamino)hex-4-en-3-one

C8H14FNO — CID 135165507

IUPAC(Z)-4-fluoro-2-methyl-6-(methylamino)hex-4-en-3-one
SMILESCNC/C=C(\F)C(=O)C(C)C
InChIInChI=1S/C8H14FNO/c1-6(2)8(11)7(9)4-5-10-3/h4,6,10H,5H2,1-3H3/b7-4-
InChIKeyWRVLCKWZRBNYCZ-DAXSKMNVSA-N
MW159.20 g/mol
LogP1.28
Rot. Bonds4

About (Z)-4-fluoro-2-methyl-6-(methylamino)hex-4-en-3-one

(Z)-4-fluoro-2-methyl-6-(methylamino)hex-4-en-3-one (PubChem CID 135165507) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (Z)-4-fluoro-2-methyl-6-(methylamino)hex-4-en-3-one.

Molecular Properties

Compound Name(Z)-4-fluoro-2-methyl-6-(methylamino)hex-4-en-3-one
PubChem CID135165507
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(Z)-4-fluoro-2-methyl-6-(methylamino)hex-4-en-3-one
SMILESCNC/C=C(\F)C(=O)C(C)C
InChIInChI=1S/C8H14FNO/c1-6(2)8(11)7(9)4-5-10-3/h4,6,10H,5H2,1-3H3/b7-4-
InChIKeyWRVLCKWZRBNYCZ-DAXSKMNVSA-N
XLogP1.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-fluoro-2-methyl-6-(methylamino)hex-4-en-3-one?
The IUPAC name of (Z)-4-fluoro-2-methyl-6-(methylamino)hex-4-en-3-one (CID 135165507) is (Z)-4-fluoro-2-methyl-6-(methylamino)hex-4-en-3-one.
What is the SMILES notation for (Z)-4-fluoro-2-methyl-6-(methylamino)hex-4-en-3-one?
The canonical SMILES for (Z)-4-fluoro-2-methyl-6-(methylamino)hex-4-en-3-one is CNC/C=C(\F)C(=O)C(C)C.
What is the InChIKey of (Z)-4-fluoro-2-methyl-6-(methylamino)hex-4-en-3-one?
The InChIKey is WRVLCKWZRBNYCZ-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H14FNO/c1-6(2)8(11)7(9)4-5-10-3/h4,6,10H,5H2,1-3H3/b7-4-.
What are the key properties of (Z)-4-fluoro-2-methyl-6-(methylamino)hex-4-en-3-one?
(Z)-4-fluoro-2-methyl-6-(methylamino)hex-4-en-3-one has a molecular weight of 159.20 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-fluoro-2-methyl-6-(methylamino)hex-4-en-3-one is sourced from PubChem (CID 135165507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).