(Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one

C11H19FO2 — CID 166646206

IUPAC(Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one
SMILESCO/C(=C\C(=O)C(C)(C)C)C(C)(C)F
InChIInChI=1S/C11H19FO2/c1-10(2,3)8(13)7-9(14-6)11(4,5)12/h7H,1-6H3/b9-7-
InChIKeyICZQUXFQSUUADN-CLFYSBASSA-N
MW202.27 g/mol
LogP2.88
Rot. Bonds3

About (Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one

(Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one (PubChem CID 166646206) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is (Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one.

Molecular Properties

Compound Name(Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one
PubChem CID166646206
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name(Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one
SMILESCO/C(=C\C(=O)C(C)(C)C)C(C)(C)F
InChIInChI=1S/C11H19FO2/c1-10(2,3)8(13)7-9(14-6)11(4,5)12/h7H,1-6H3/b9-7-
InChIKeyICZQUXFQSUUADN-CLFYSBASSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

CID 6018214
CID 6018214
2,2,6,6-Tetramethyl-3,5-heptanedionato lithium
CID 23689623
(Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-one
CID 59927458
2,2,6,6-Tetramethyl-3,5-heptanedionato cesium [CS(tmhd)]
CID 118855955
6,6,6-Trifluoro-5-methoxy-2,2-dimethylhex-4-en-3-one
CID 123365984
(Z)-7,7,7-trifluoro-5-methoxy-2,6,6-trimethylhept-4-en-3-one
CID 156216072
(Z)-1,1,1,7,7,7-hexafluoro-5-methoxy-2,2,6,6-tetramethylhept-4-en-3-one
CID 156268107
(Z)-6,7,7,8,8-pentafluoro-5-methoxy-2,2,6-trimethylnon-4-en-3-one
CID 156284627
(Z)-6,6,7,7,8-pentafluoro-5-methoxy-2,2,8-trimethylnon-4-en-3-one
CID 156284628
(Z)-1,1-difluoro-5-methoxy-2,6,6-trimethyloct-4-en-3-one
CID 156291130
(Z)-1-[1-(fluoromethyl)cyclopropyl]-3-methoxy-4,4-dimethylhex-2-en-1-one
CID 156291264
(Z)-1,9,9,9-tetrafluoro-6-methoxy-7,7-dimethylnon-5-en-4-one
CID 156291274

Frequently Asked Questions

What is the IUPAC name of (Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one?
The IUPAC name of (Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one (CID 166646206) is (Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one.
What is the SMILES notation for (Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one?
The canonical SMILES for (Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one is CO/C(=C\C(=O)C(C)(C)C)C(C)(C)F.
What is the InChIKey of (Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one?
The InChIKey is ICZQUXFQSUUADN-CLFYSBASSA-N. The full InChI is InChI=1S/C11H19FO2/c1-10(2,3)8(13)7-9(14-6)11(4,5)12/h7H,1-6H3/b9-7-.
What are the key properties of (Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one?
(Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one has a molecular weight of 202.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one is sourced from PubChem (CID 166646206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).