(3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol

C17H20FNO — CID 143025696

IUPAC(3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol
SMILESC/C(=C\C=C(N)\C=C\C=C/C(C)O)c1cccc(F)c1
InChIInChI=1S/C17H20FNO/c1-13(15-7-5-8-16(18)12-15)10-11-17(19)9-4-3-6-14(2)20/h3-12,14,20H,19H2,1-2H3/b6-3-,9-4+,13-10+,17-11-
InChIKeyFQPXTGNCUQGMHI-PJDVWPJXSA-N
MW273.35 g/mol
LogP3.56
Rot. Bonds5

About (3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol

(3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol (PubChem CID 143025696) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol.

Molecular Properties

Compound Name(3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol
PubChem CID143025696
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol
SMILESC/C(=C\C=C(N)\C=C\C=C/C(C)O)c1cccc(F)c1
InChIInChI=1S/C17H20FNO/c1-13(15-7-5-8-16(18)12-15)10-11-17(19)9-4-3-6-14(2)20/h3-12,14,20H,19H2,1-2H3/b6-3-,9-4+,13-10+,17-11-
InChIKeyFQPXTGNCUQGMHI-PJDVWPJXSA-N
XLogP3.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol?
The IUPAC name of (3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol (CID 143025696) is (3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol.
What is the SMILES notation for (3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol?
The canonical SMILES for (3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol is C/C(=C\C=C(N)\C=C\C=C/C(C)O)c1cccc(F)c1.
What is the InChIKey of (3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol?
The InChIKey is FQPXTGNCUQGMHI-PJDVWPJXSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(15-7-5-8-16(18)12-15)10-11-17(19)9-4-3-6-14(2)20/h3-12,14,20H,19H2,1-2H3/b6-3-,9-4+,13-10+,17-11-.
What are the key properties of (3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol?
(3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol has a molecular weight of 273.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol is sourced from PubChem (CID 143025696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).