(Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol

C12H19FO2 — CID 122496243

IUPAC(Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol
SMILESC=CC(=C)C(C/C(F)=C(\C)O)C(O)CC
InChIInChI=1S/C12H19FO2/c1-5-8(3)10(12(15)6-2)7-11(13)9(4)14/h5,10,12,14-15H,1,3,6-7H2,2,4H3/b11-9-
InChIKeyBLBXHJGOFZHGJP-LUAWRHEFSA-N
MW214.28 g/mol
LogP3.26
Rot. Bonds6

About (Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol

(Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol (PubChem CID 122496243) has the molecular formula C12H19FO2 and a molecular weight of 214.28 g/mol. Its IUPAC name is (Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol.

Molecular Properties

Compound Name(Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol
PubChem CID122496243
Molecular FormulaC12H19FO2
Molecular Weight214.28 g/mol
Exact Mass214.14
IUPAC Name(Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol
SMILESC=CC(=C)C(C/C(F)=C(\C)O)C(O)CC
InChIInChI=1S/C12H19FO2/c1-5-8(3)10(12(15)6-2)7-11(13)9(4)14/h5,10,12,14-15H,1,3,6-7H2,2,4H3/b11-9-
InChIKeyBLBXHJGOFZHGJP-LUAWRHEFSA-N
XLogP3.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 53.26
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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Related Compounds

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(1S,2S)-2-(2-fluoropropan-2-yl)cyclopent-3-en-1-ol
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(E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol
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1-[(1R,5S)-6-[(2S)-2-fluoro-3-methylbut-3-en-2-yl]-5-methylcyclohex-2-en-1-yl]ethanol
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3-Ethenyl-4-(1-fluoroethenyl)-2-methylcyclopent-3-en-1-ol
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(7E)-8-fluoro-5-methyl-6-methylidenedeca-7,9-dien-2-ol
CID 143901353
(7Z)-7,8-difluoro-5-methyl-6-methylidenedeca-7,9-dien-2-ol
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(6Z)-6,7-difluoro-4-methyl-5-methylidenenona-6,8-dien-2-ol
CID 144405168

Frequently Asked Questions

What is the IUPAC name of (Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol?
The IUPAC name of (Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol (CID 122496243) is (Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol.
What is the SMILES notation for (Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol?
The canonical SMILES for (Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol is C=CC(=C)C(C/C(F)=C(\C)O)C(O)CC.
What is the InChIKey of (Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol?
The InChIKey is BLBXHJGOFZHGJP-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H19FO2/c1-5-8(3)10(12(15)6-2)7-11(13)9(4)14/h5,10,12,14-15H,1,3,6-7H2,2,4H3/b11-9-.
What are the key properties of (Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol?
(Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol has a molecular weight of 214.28 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol is sourced from PubChem (CID 122496243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).