(Z)-4-fluoro-7-hydroxy-2-methylhept-4-en-3-one

C8H13FO2 — CID 166819112

IUPAC(Z)-4-fluoro-7-hydroxy-2-methylhept-4-en-3-one
SMILESCC(C)C(=O)/C(F)=C/CCO
InChIInChI=1S/C8H13FO2/c1-6(2)8(11)7(9)4-3-5-10/h4,6,10H,3,5H2,1-2H3/b7-4-
InChIKeyIFPCDAGYOAOQBJ-DAXSKMNVSA-N
MW160.19 g/mol
LogP1.45
Rot. Bonds4

About (Z)-4-fluoro-7-hydroxy-2-methylhept-4-en-3-one

(Z)-4-fluoro-7-hydroxy-2-methylhept-4-en-3-one (PubChem CID 166819112) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is (Z)-4-fluoro-7-hydroxy-2-methylhept-4-en-3-one.

Molecular Properties

Compound Name(Z)-4-fluoro-7-hydroxy-2-methylhept-4-en-3-one
PubChem CID166819112
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name(Z)-4-fluoro-7-hydroxy-2-methylhept-4-en-3-one
SMILESCC(C)C(=O)/C(F)=C/CCO
InChIInChI=1S/C8H13FO2/c1-6(2)8(11)7(9)4-3-5-10/h4,6,10H,3,5H2,1-2H3/b7-4-
InChIKeyIFPCDAGYOAOQBJ-DAXSKMNVSA-N
XLogP1.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.45
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-7-hydroxy-2-methylhept-4-en-3-one?
The IUPAC name of (Z)-4-fluoro-7-hydroxy-2-methylhept-4-en-3-one (CID 166819112) is (Z)-4-fluoro-7-hydroxy-2-methylhept-4-en-3-one.
What is the SMILES notation for (Z)-4-fluoro-7-hydroxy-2-methylhept-4-en-3-one?
The canonical SMILES for (Z)-4-fluoro-7-hydroxy-2-methylhept-4-en-3-one is CC(C)C(=O)/C(F)=C/CCO.
What is the InChIKey of (Z)-4-fluoro-7-hydroxy-2-methylhept-4-en-3-one?
The InChIKey is IFPCDAGYOAOQBJ-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H13FO2/c1-6(2)8(11)7(9)4-3-5-10/h4,6,10H,3,5H2,1-2H3/b7-4-.
What are the key properties of (Z)-4-fluoro-7-hydroxy-2-methylhept-4-en-3-one?
(Z)-4-fluoro-7-hydroxy-2-methylhept-4-en-3-one has a molecular weight of 160.19 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-fluoro-7-hydroxy-2-methylhept-4-en-3-one is sourced from PubChem (CID 166819112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).