(3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol

C12H13FO2 — CID 142358907

IUPAC(3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol
SMILESC=C(O)/C=C\C(=C)C(=C)/C=C(/F)C(=C)O
InChIInChI=1S/C12H13FO2/c1-8(5-6-10(3)14)9(2)7-12(13)11(4)15/h5-7,14-15H,1-4H2/b6-5-,12-7+
InChIKeyLZGXJQMLEPEYJM-UNKATYBDSA-N
MW208.23 g/mol
LogP3.65
Rot. Bonds5

About (3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol

(3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol (PubChem CID 142358907) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is (3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol.

Molecular Properties

Compound Name(3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol
PubChem CID142358907
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name(3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol
SMILESC=C(O)/C=C\C(=C)C(=C)/C=C(/F)C(=C)O
InChIInChI=1S/C12H13FO2/c1-8(5-6-10(3)14)9(2)7-12(13)11(4)15/h5-7,14-15H,1-4H2/b6-5-,12-7+
InChIKeyLZGXJQMLEPEYJM-UNKATYBDSA-N
XLogP3.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol?
The IUPAC name of (3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol (CID 142358907) is (3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol.
What is the SMILES notation for (3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol?
The canonical SMILES for (3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol is C=C(O)/C=C\C(=C)C(=C)/C=C(/F)C(=C)O.
What is the InChIKey of (3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol?
The InChIKey is LZGXJQMLEPEYJM-UNKATYBDSA-N. The full InChI is InChI=1S/C12H13FO2/c1-8(5-6-10(3)14)9(2)7-12(13)11(4)15/h5-7,14-15H,1-4H2/b6-5-,12-7+.
What are the key properties of (3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol?
(3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol has a molecular weight of 208.23 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol is sourced from PubChem (CID 142358907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).