(2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol

C15H22FNO — CID 144635074

IUPAC(2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol
SMILESC=C/C(F)=C(\C=C\NCC(/C=C\CO)=C/C)CC
InChIInChI=1S/C15H22FNO/c1-4-13(8-7-11-18)12-17-10-9-14(5-2)15(16)6-3/h4,6-10,17-18H,3,5,11-12H2,1-2H3/b8-7-,10-9+,13-4+,15-14+
InChIKeyPEYURGACBSMAHZ-LDAVJMNPSA-N
MW251.34 g/mol
LogP3.40
Rot. Bonds8

About (2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol

(2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol (PubChem CID 144635074) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol
PubChem CID144635074
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol
SMILESC=C/C(F)=C(\C=C\NCC(/C=C\CO)=C/C)CC
InChIInChI=1S/C15H22FNO/c1-4-13(8-7-11-18)12-17-10-9-14(5-2)15(16)6-3/h4,6-10,17-18H,3,5,11-12H2,1-2H3/b8-7-,10-9+,13-4+,15-14+
InChIKeyPEYURGACBSMAHZ-LDAVJMNPSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol?
The IUPAC name of (2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol (CID 144635074) is (2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol.
What is the SMILES notation for (2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol?
The canonical SMILES for (2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol is C=C/C(F)=C(\C=C\NCC(/C=C\CO)=C/C)CC.
What is the InChIKey of (2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol?
The InChIKey is PEYURGACBSMAHZ-LDAVJMNPSA-N. The full InChI is InChI=1S/C15H22FNO/c1-4-13(8-7-11-18)12-17-10-9-14(5-2)15(16)6-3/h4,6-10,17-18H,3,5,11-12H2,1-2H3/b8-7-,10-9+,13-4+,15-14+.
What are the key properties of (2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol?
(2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol has a molecular weight of 251.34 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol is sourced from PubChem (CID 144635074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).