2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol

C11H18FNO — CID 142176480

IUPAC2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol
SMILESC=C/C(CCNCCO)=C(F)\C=C/C
InChIInChI=1S/C11H18FNO/c1-3-5-11(12)10(4-2)6-7-13-8-9-14/h3-5,13-14H,2,6-9H2,1H3/b5-3-,11-10-
InChIKeyXBKKSPXBEVGOGN-KECVDKFLSA-N
MW199.27 g/mol
LogP1.94
Rot. Bonds7

About 2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol

2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol (PubChem CID 142176480) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol
PubChem CID142176480
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol
SMILESC=C/C(CCNCCO)=C(F)\C=C/C
InChIInChI=1S/C11H18FNO/c1-3-5-11(12)10(4-2)6-7-13-8-9-14/h3-5,13-14H,2,6-9H2,1H3/b5-3-,11-10-
InChIKeyXBKKSPXBEVGOGN-KECVDKFLSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol?
The IUPAC name of 2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol (CID 142176480) is 2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol.
What is the SMILES notation for 2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol?
The canonical SMILES for 2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol is C=C/C(CCNCCO)=C(F)\C=C/C.
What is the InChIKey of 2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol?
The InChIKey is XBKKSPXBEVGOGN-KECVDKFLSA-N. The full InChI is InChI=1S/C11H18FNO/c1-3-5-11(12)10(4-2)6-7-13-8-9-14/h3-5,13-14H,2,6-9H2,1H3/b5-3-,11-10-.
What are the key properties of 2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol?
2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol has a molecular weight of 199.27 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol is sourced from PubChem (CID 142176480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).