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

C19H32FNO — CID 144635073

IUPACethane;ethene;(2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol
SMILESC=C.C=C/C(F)=C(\C=C\NCC(/C=C\CO)=C/C)CC.CC
InChIInChI=1S/C15H22FNO.C2H6.C2H4/c1-4-13(8-7-11-18)12-17-10-9-14(5-2)15(16)6-3;2*1-2/h4,6-10,17-18H,3,5,11-12H2,1-2H3;1-2H3;1-2H2/b8-7-,10-9+,13-4+,15-14+;;
InChIKeyBSQLYRBIXLZAHL-ABEZYKAFSA-N
MW309.47 g/mol
LogP5.23
Rot. Bonds8

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

ethane;ethene;(2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol (PubChem CID 144635073) has the molecular formula C19H32FNO and a molecular weight of 309.47 g/mol. Its IUPAC name is ethane;ethene;(2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol.

Molecular Properties

Compound Nameethane;ethene;(2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol
PubChem CID144635073
Molecular FormulaC19H32FNO
Molecular Weight309.47 g/mol
Exact Mass309.25
IUPAC Nameethane;ethene;(2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol
SMILESC=C.C=C/C(F)=C(\C=C\NCC(/C=C\CO)=C/C)CC.CC
InChIInChI=1S/C15H22FNO.C2H6.C2H4/c1-4-13(8-7-11-18)12-17-10-9-14(5-2)15(16)6-3;2*1-2/h4,6-10,17-18H,3,5,11-12H2,1-2H3;1-2H3;1-2H2/b8-7-,10-9+,13-4+,15-14+;;
InChIKeyBSQLYRBIXLZAHL-ABEZYKAFSA-N
XLogP5.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.47
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(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 ethane;ethene;(2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol (CID 144635073) is ethane;ethene;(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 ethane;ethene;(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 ethane;ethene;(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=C/C(F)=C(\C=C\NCC(/C=C\CO)=C/C)CC.CC.
What is the InChIKey of ethane;ethene;(2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol?
The InChIKey is BSQLYRBIXLZAHL-ABEZYKAFSA-N. The full InChI is InChI=1S/C15H22FNO.C2H6.C2H4/c1-4-13(8-7-11-18)12-17-10-9-14(5-2)15(16)6-3;2*1-2/h4,6-10,17-18H,3,5,11-12H2,1-2H3;1-2H3;1-2H2/b8-7-,10-9+,13-4+,15-14+;;.
What are the key properties of ethane;ethene;(2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol?
ethane;ethene;(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 309.47 g/mol, XLogP of 5.23, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(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 144635073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).