(E)-6-fluoro-6-hydroxy-2-methylhex-4-en-3-one

C7H11FO2 — CID 167020829

IUPAC(E)-6-fluoro-6-hydroxy-2-methylhex-4-en-3-one
SMILESCC(C)C(=O)/C=C/C(O)F
InChIInChI=1S/C7H11FO2/c1-5(2)6(9)3-4-7(8)10/h3-5,7,10H,1-2H3/b4-3+
InChIKeyRWYGHIVRYOMQOA-ONEGZZNKSA-N
MW146.16 g/mol
LogP1.06
Rot. Bonds3

About (E)-6-fluoro-6-hydroxy-2-methylhex-4-en-3-one

(E)-6-fluoro-6-hydroxy-2-methylhex-4-en-3-one (PubChem CID 167020829) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is (E)-6-fluoro-6-hydroxy-2-methylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-fluoro-6-hydroxy-2-methylhex-4-en-3-one
PubChem CID167020829
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name(E)-6-fluoro-6-hydroxy-2-methylhex-4-en-3-one
SMILESCC(C)C(=O)/C=C/C(O)F
InChIInChI=1S/C7H11FO2/c1-5(2)6(9)3-4-7(8)10/h3-5,7,10H,1-2H3/b4-3+
InChIKeyRWYGHIVRYOMQOA-ONEGZZNKSA-N
XLogP1.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,6-dimethylhept-4-en-3-one;2,4-dimethylpentan-3-one
CID 161014897
7-methyl-6-oxooct-4-enal
CID 131863005
(E)-6,7,7,7-tetrafluoro-2,6-dimethylhept-4-en-3-one
CID 161308109
methyl (E)-5-methyl-4-oxohex-2-enoate
CID 11084121
(E)-4-methyl-1-methylsulfonylpent-1-en-3-one
CID 165384333
(E)-6-bromo-2-methylhex-4-en-3-one;ethane
CID 168909812
(E)-4-fluoropent-2-enoic acid
CID 87509994
(E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one
CID 135183413
(E)-7-methyl-6-oxooct-4-enoic acid
CID 176584292
(Z)-1-(2,6-dichlorophenyl)-4-methylpent-1-en-3-one
CID 92531585
(E)-6-(3-fluoro-3-methylazetidin-1-yl)-2-methylhex-4-en-3-one
CID 126624316
bis(5-hydroxy-2-methylhex-4-en-3-one);methanone;ruthenium(2+)
CID 152982295

Frequently Asked Questions

What is the IUPAC name of (E)-6-fluoro-6-hydroxy-2-methylhex-4-en-3-one?
The IUPAC name of (E)-6-fluoro-6-hydroxy-2-methylhex-4-en-3-one (CID 167020829) is (E)-6-fluoro-6-hydroxy-2-methylhex-4-en-3-one.
What is the SMILES notation for (E)-6-fluoro-6-hydroxy-2-methylhex-4-en-3-one?
The canonical SMILES for (E)-6-fluoro-6-hydroxy-2-methylhex-4-en-3-one is CC(C)C(=O)/C=C/C(O)F.
What is the InChIKey of (E)-6-fluoro-6-hydroxy-2-methylhex-4-en-3-one?
The InChIKey is RWYGHIVRYOMQOA-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H11FO2/c1-5(2)6(9)3-4-7(8)10/h3-5,7,10H,1-2H3/b4-3+.
What are the key properties of (E)-6-fluoro-6-hydroxy-2-methylhex-4-en-3-one?
(E)-6-fluoro-6-hydroxy-2-methylhex-4-en-3-one has a molecular weight of 146.16 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-fluoro-6-hydroxy-2-methylhex-4-en-3-one is sourced from PubChem (CID 167020829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).