(4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol

C11H18FNO — CID 142806656

IUPAC(4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol
SMILESC=C/C(=C\C=C(/C)F)C(C)C(N)CO
InChIInChI=1S/C11H18FNO/c1-4-10(6-5-8(2)12)9(3)11(13)7-14/h4-6,9,11,14H,1,7,13H2,2-3H3/b8-5+,10-6+
InChIKeyIWGMFEFDMDYXJE-YLDLMLGBSA-N
MW199.27 g/mol
LogP1.93
Rot. Bonds5

About (4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol

(4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol (PubChem CID 142806656) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is (4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol
PubChem CID142806656
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name(4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol
SMILESC=C/C(=C\C=C(/C)F)C(C)C(N)CO
InChIInChI=1S/C11H18FNO/c1-4-10(6-5-8(2)12)9(3)11(13)7-14/h4-6,9,11,14H,1,7,13H2,2-3H3/b8-5+,10-6+
InChIKeyIWGMFEFDMDYXJE-YLDLMLGBSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol with MolForge

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Related Compounds

(2S)-2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol
CID 89219682
2-Amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol
CID 123802805
(2S)-2-amino-2-(5-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanol
CID 132099709
(3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol
CID 135229493
(Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol
CID 142279463
(3E,5E)-2-amino-6-(2-fluoropropan-2-yl)-3-methylocta-3,5,7-trien-1-ol
CID 145012073
2-Amino-3-(6-fluorocyclohexa-1,5-dien-1-yl)propan-1-ol
CID 145561468
(Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol
CID 155183993
2-[3-(1-Aminoethyl)cyclohexa-2,4-dien-1-yl]-2,2-difluoroethanol
CID 166734917
(4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol
CID 142547574
(2S)-2-amino-2-cyclohexa-2,4-dien-1-ylethanol
CID 67475803
(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropan-1-ol
CID 68063874

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol?
The IUPAC name of (4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol (CID 142806656) is (4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol.
What is the SMILES notation for (4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol?
The canonical SMILES for (4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol is C=C/C(=C\C=C(/C)F)C(C)C(N)CO.
What is the InChIKey of (4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol?
The InChIKey is IWGMFEFDMDYXJE-YLDLMLGBSA-N. The full InChI is InChI=1S/C11H18FNO/c1-4-10(6-5-8(2)12)9(3)11(13)7-14/h4-6,9,11,14H,1,7,13H2,2-3H3/b8-5+,10-6+.
What are the key properties of (4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol?
(4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol has a molecular weight of 199.27 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol is sourced from PubChem (CID 142806656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).