(E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one

C11H19FO — CID 19843741

IUPAC(E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one
SMILESCC(C)(C)/C=C/C(=O)C(C)(C)CF
InChIInChI=1S/C11H19FO/c1-10(2,3)7-6-9(13)11(4,5)8-12/h6-7H,8H2,1-5H3/b7-6+
InChIKeyCKSOXCJXVWYRSA-VOTSOKGWSA-N
MW186.27 g/mol
LogP3.15
Rot. Bonds3

About (E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one

(E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one (PubChem CID 19843741) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is (E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one.

Molecular Properties

Compound Name(E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one
PubChem CID19843741
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name(E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one
SMILESCC(C)(C)/C=C/C(=O)C(C)(C)CF
InChIInChI=1S/C11H19FO/c1-10(2,3)7-6-9(13)11(4,5)8-12/h6-7H,8H2,1-5H3/b7-6+
InChIKeyCKSOXCJXVWYRSA-VOTSOKGWSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Zerumbone
CID 5470187
Artemisia ketone
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2,6,9,9-Tetramethyl-2,6,10-cycloundecatrien-1-one
CID 5372142
(4E)-2,2,5,6,6-pentamethylhept-4-en-3-one
CID 5816275
(2Z,6Z,10Z)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
CID 5353004
2,2,6,6-Tetramethylhept-4-en-3-one
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6,6,7,7,8,8,9,9,9-Nonafluoro-2,2-dimethylnon-4-en-3-one
CID 71333643
2,6-Dimethylhept-4-en-3-one
CID 92080
(2E,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
CID 177784406
2,6,9,9-Tetramethylcycloundeca-2,6,10-trien-1-one
CID 5725
5,5,8-Trimethylnona-3,7-dien-2-one
CID 3274410
2,4,6-Trimethyl-4-prop-2-enylcyclohexa-2,5-dien-1-one
CID 342742

Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one?
The IUPAC name of (E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one (CID 19843741) is (E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one.
What is the SMILES notation for (E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one?
The canonical SMILES for (E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one is CC(C)(C)/C=C/C(=O)C(C)(C)CF.
What is the InChIKey of (E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one?
The InChIKey is CKSOXCJXVWYRSA-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H19FO/c1-10(2,3)7-6-9(13)11(4,5)8-12/h6-7H,8H2,1-5H3/b7-6+.
What are the key properties of (E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one?
(E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one has a molecular weight of 186.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one is sourced from PubChem (CID 19843741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).