(4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one

C12H15FO — CID 142308296

IUPAC(4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one
SMILESC=C(F)/C=C\C(=C)/C(C)=C/CC(C)=O
InChIInChI=1S/C12H15FO/c1-9(5-7-11(3)13)10(2)6-8-12(4)14/h5-7H,1,3,8H2,2,4H3/b7-5-,10-6+
InChIKeyLFWNETWDZKGGFC-ZPRNNRRZSA-N
MW194.25 g/mol
LogP3.51
Rot. Bonds5

About (4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one

(4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one (PubChem CID 142308296) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is (4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one.

Molecular Properties

Compound Name(4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one
PubChem CID142308296
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name(4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one
SMILESC=C(F)/C=C\C(=C)/C(C)=C/CC(C)=O
InChIInChI=1S/C12H15FO/c1-9(5-7-11(3)13)10(2)6-8-12(4)14/h5-7H,1,3,8H2,2,4H3/b7-5-,10-6+
InChIKeyLFWNETWDZKGGFC-ZPRNNRRZSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143485598
(3Z,7Z)-2-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143982603
(213C)pent-4-en-2-one
CID 173180315
6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene
CID 123639498
(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene
CID 164594672
4,17-difluoro-3,6,7,10,15,18-hexamethyl-11,14-dimethylideneicosa-3,5,7,9,12,15,17-heptaene-2,19-dione
CID 123981355
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
oct-4-ene-2,7-dione
CID 57029717
5-chloro-2-methylhexa-2,5-dienoic acid
CID 91398542
(3Z,7Z)-2-fluoro-4,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 145480540
acetylene;(4Z,6Z)-5-methylocta-4,6-dien-2-one
CID 143148481
(Z)-5-methoxyhex-4-en-2-one
CID 87291047

Frequently Asked Questions

What is the IUPAC name of (4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one?
The IUPAC name of (4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one (CID 142308296) is (4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one.
What is the SMILES notation for (4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one?
The canonical SMILES for (4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one is C=C(F)/C=C\C(=C)/C(C)=C/CC(C)=O.
What is the InChIKey of (4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one?
The InChIKey is LFWNETWDZKGGFC-ZPRNNRRZSA-N. The full InChI is InChI=1S/C12H15FO/c1-9(5-7-11(3)13)10(2)6-8-12(4)14/h5-7H,1,3,8H2,2,4H3/b7-5-,10-6+.
What are the key properties of (4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one?
(4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one has a molecular weight of 194.25 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one is sourced from PubChem (CID 142308296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).