(7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen

C13H21FO — CID 163264610

IUPAC(7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen
SMILESC=C(/C=C(/F)C(=C)C)CCC(C)C(C)=O.[H][H]
InChIInChI=1S/C13H19FO.H2/c1-9(2)13(14)8-10(3)6-7-11(4)12(5)15;/h8,11H,1,3,6-7H2,2,4-5H3;1H/b13-8+;
InChIKeyDBRMYFTUDMICEP-FNXZNAJJSA-N
MW212.31 g/mol
LogP4.22
Rot. Bonds6

About (7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen

(7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen (PubChem CID 163264610) has the molecular formula C13H21FO and a molecular weight of 212.31 g/mol. Its IUPAC name is (7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen.

Molecular Properties

Compound Name(7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen
PubChem CID163264610
Molecular FormulaC13H21FO
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Name(7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen
SMILESC=C(/C=C(/F)C(=C)C)CCC(C)C(C)=O.[H][H]
InChIInChI=1S/C13H19FO.H2/c1-9(2)13(14)8-10(3)6-7-11(4)12(5)15;/h8,11H,1,3,6-7H2,2,4-5H3;1H/b13-8+;
InChIKeyDBRMYFTUDMICEP-FNXZNAJJSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

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CID 71756573
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CID 13063377
2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene
CID 123767208
(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-triene
CID 142210415
(3S)-3,5-dimethylhex-5-en-2-one
CID 45085211
7-diazo-3-methyloctane-2,6-dione
CID 158775362
6-cyclopropylidene-3-methylheptan-2-one
CID 171788833
(2S)-2,5-dimethylhex-5-enoic acid
CID 94864508
(3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene
CID 145172629
6-amino-3-methylheptan-2-one
CID 171808053
(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650

Frequently Asked Questions

What is the IUPAC name of (7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen?
The IUPAC name of (7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen (CID 163264610) is (7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen.
What is the SMILES notation for (7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen?
The canonical SMILES for (7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen is C=C(/C=C(/F)C(=C)C)CCC(C)C(C)=O.[H][H].
What is the InChIKey of (7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen?
The InChIKey is DBRMYFTUDMICEP-FNXZNAJJSA-N. The full InChI is InChI=1S/C13H19FO.H2/c1-9(2)13(14)8-10(3)6-7-11(4)12(5)15;/h8,11H,1,3,6-7H2,2,4-5H3;1H/b13-8+;.
What are the key properties of (7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen?
(7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen has a molecular weight of 212.31 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-8-fluoro-3,9-dimethyl-6-methylidenedeca-7,9-dien-2-one;molecular hydrogen is sourced from PubChem (CID 163264610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).