(Z)-6-(dimethylamino)-4-fluorohex-4-en-3-one

C8H14FNO — CID 135183218

IUPAC(Z)-6-(dimethylamino)-4-fluorohex-4-en-3-one
SMILESCCC(=O)/C(F)=C/CN(C)C
InChIInChI=1S/C8H14FNO/c1-4-8(11)7(9)5-6-10(2)3/h5H,4,6H2,1-3H3/b7-5-
InChIKeyGHWAAMJMVVJLDT-ALCCZGGFSA-N
MW159.20 g/mol
LogP1.38
Rot. Bonds4

About (Z)-6-(dimethylamino)-4-fluorohex-4-en-3-one

(Z)-6-(dimethylamino)-4-fluorohex-4-en-3-one (PubChem CID 135183218) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (Z)-6-(dimethylamino)-4-fluorohex-4-en-3-one.

Molecular Properties

Compound Name(Z)-6-(dimethylamino)-4-fluorohex-4-en-3-one
PubChem CID135183218
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(Z)-6-(dimethylamino)-4-fluorohex-4-en-3-one
SMILESCCC(=O)/C(F)=C/CN(C)C
InChIInChI=1S/C8H14FNO/c1-4-8(11)7(9)5-6-10(2)3/h5H,4,6H2,1-3H3/b7-5-
InChIKeyGHWAAMJMVVJLDT-ALCCZGGFSA-N
XLogP1.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
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)-6-(dimethylamino)-4-fluorohex-4-en-3-one?
The IUPAC name of (Z)-6-(dimethylamino)-4-fluorohex-4-en-3-one (CID 135183218) is (Z)-6-(dimethylamino)-4-fluorohex-4-en-3-one.
What is the SMILES notation for (Z)-6-(dimethylamino)-4-fluorohex-4-en-3-one?
The canonical SMILES for (Z)-6-(dimethylamino)-4-fluorohex-4-en-3-one is CCC(=O)/C(F)=C/CN(C)C.
What is the InChIKey of (Z)-6-(dimethylamino)-4-fluorohex-4-en-3-one?
The InChIKey is GHWAAMJMVVJLDT-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H14FNO/c1-4-8(11)7(9)5-6-10(2)3/h5H,4,6H2,1-3H3/b7-5-.
What are the key properties of (Z)-6-(dimethylamino)-4-fluorohex-4-en-3-one?
(Z)-6-(dimethylamino)-4-fluorohex-4-en-3-one has a molecular weight of 159.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(dimethylamino)-4-fluorohex-4-en-3-one is sourced from PubChem (CID 135183218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).