(E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one

C11H15F2NO — CID 155718511

IUPAC(E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one
SMILES[H]/N=C(\C=C(/C=CC)C(=O)CC)C(C)(F)F
InChIInChI=1S/C11H15F2NO/c1-4-6-8(9(15)5-2)7-10(14)11(3,12)13/h4,6-7,14H,5H2,1-3H3/b6-4?,8-7+,14-10+
InChIKeyVERJSAWPFNFSFC-BENQUKRZSA-N
MW215.24 g/mol
LogP3.14
Rot. Bonds5

About (E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one

(E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one (PubChem CID 155718511) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one.

Molecular Properties

Compound Name(E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one
PubChem CID155718511
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one
SMILES[H]/N=C(\C=C(/C=CC)C(=O)CC)C(C)(F)F
InChIInChI=1S/C11H15F2NO/c1-4-6-8(9(15)5-2)7-10(14)11(3,12)13/h4,6-7,14H,5H2,1-3H3/b6-4?,8-7+,14-10+
InChIKeyVERJSAWPFNFSFC-BENQUKRZSA-N
XLogP3.14
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-Imino-4-methylcyclohexa-2,4-dien-1-one
CID 101512393
2-Ethyl-benzoquinone imine
CID 132277171
(E)-6-fluoro-4-imino-3-methylideneoct-5-en-2-one
CID 123392429
(4E)-2,4-dimethyl-5-(2,2,2-trifluoroethanimidoyl)hepta-1,4,6-trien-3-one
CID 139425190
(3E,5Z)-8,8,8-trifluoro-7-iminoocta-3,5-dien-2-one
CID 145375190
1-Imino-1-(3,6,8-trifluorocycloocta-1,5,7-trien-1-yl)propan-2-one
CID 163891911
1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
(3E,5E)-3-ethanimidoyl-5-fluorohepta-3,5-dien-2-one
CID 168203342
(5Z,7E,8E)-7-ethylidene-11,11,11-trifluoro-8-methyl-10-methyliminoundeca-5,8-dien-4-one
CID 178058535
1-(5-Imino-3-methylcyclohepta-1,6-dien-1-yl)ethanone
CID 90855946
1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone
CID 91105970
(5Z)-3-iminonona-5,7,8-trien-4-one
CID 91220623

Frequently Asked Questions

What is the IUPAC name of (E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one?
The IUPAC name of (E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one (CID 155718511) is (E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one.
What is the SMILES notation for (E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one?
The canonical SMILES for (E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one is [H]/N=C(\C=C(/C=CC)C(=O)CC)C(C)(F)F.
What is the InChIKey of (E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one?
The InChIKey is VERJSAWPFNFSFC-BENQUKRZSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-4-6-8(9(15)5-2)7-10(14)11(3,12)13/h4,6-7,14H,5H2,1-3H3/b6-4?,8-7+,14-10+.
What are the key properties of (E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one?
(E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one has a molecular weight of 215.24 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7,7-difluoro-6-imino-4-prop-1-enyloct-4-en-3-one is sourced from PubChem (CID 155718511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).