(5Z,6Z)-5-(2-fluoroethylidene)-7-methyl-1-(methylamino)nona-6,8-dien-2-ol

C13H22FNO — CID 143107857

IUPAC(5Z,6Z)-5-(2-fluoroethylidene)-7-methyl-1-(methylamino)nona-6,8-dien-2-ol
SMILESC=C/C(C)=C\C(=C/CF)CCC(O)CNC
InChIInChI=1S/C13H22FNO/c1-4-11(2)9-12(7-8-14)5-6-13(16)10-15-3/h4,7,9,13,15-16H,1,5-6,8,10H2,2-3H3/b11-9-,12-7-
InChIKeyQAAXLLNUGONANQ-NNHHNCHQSA-N
MW227.32 g/mol
LogP2.38
Rot. Bonds8

About (5Z,6Z)-5-(2-fluoroethylidene)-7-methyl-1-(methylamino)nona-6,8-dien-2-ol

(5Z,6Z)-5-(2-fluoroethylidene)-7-methyl-1-(methylamino)nona-6,8-dien-2-ol (PubChem CID 143107857) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is (5Z,6Z)-5-(2-fluoroethylidene)-7-methyl-1-(methylamino)nona-6,8-dien-2-ol.

Molecular Properties

Compound Name(5Z,6Z)-5-(2-fluoroethylidene)-7-methyl-1-(methylamino)nona-6,8-dien-2-ol
PubChem CID143107857
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name(5Z,6Z)-5-(2-fluoroethylidene)-7-methyl-1-(methylamino)nona-6,8-dien-2-ol
SMILESC=C/C(C)=C\C(=C/CF)CCC(O)CNC
InChIInChI=1S/C13H22FNO/c1-4-11(2)9-12(7-8-14)5-6-13(16)10-15-3/h4,7,9,13,15-16H,1,5-6,8,10H2,2-3H3/b11-9-,12-7-
InChIKeyQAAXLLNUGONANQ-NNHHNCHQSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-5-(2-fluoroethylidene)-7-methyl-1-(methylamino)nona-6,8-dien-2-ol?
The IUPAC name of (5Z,6Z)-5-(2-fluoroethylidene)-7-methyl-1-(methylamino)nona-6,8-dien-2-ol (CID 143107857) is (5Z,6Z)-5-(2-fluoroethylidene)-7-methyl-1-(methylamino)nona-6,8-dien-2-ol.
What is the SMILES notation for (5Z,6Z)-5-(2-fluoroethylidene)-7-methyl-1-(methylamino)nona-6,8-dien-2-ol?
The canonical SMILES for (5Z,6Z)-5-(2-fluoroethylidene)-7-methyl-1-(methylamino)nona-6,8-dien-2-ol is C=C/C(C)=C\C(=C/CF)CCC(O)CNC.
What is the InChIKey of (5Z,6Z)-5-(2-fluoroethylidene)-7-methyl-1-(methylamino)nona-6,8-dien-2-ol?
The InChIKey is QAAXLLNUGONANQ-NNHHNCHQSA-N. The full InChI is InChI=1S/C13H22FNO/c1-4-11(2)9-12(7-8-14)5-6-13(16)10-15-3/h4,7,9,13,15-16H,1,5-6,8,10H2,2-3H3/b11-9-,12-7-.
What are the key properties of (5Z,6Z)-5-(2-fluoroethylidene)-7-methyl-1-(methylamino)nona-6,8-dien-2-ol?
(5Z,6Z)-5-(2-fluoroethylidene)-7-methyl-1-(methylamino)nona-6,8-dien-2-ol has a molecular weight of 227.32 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-5-(2-fluoroethylidene)-7-methyl-1-(methylamino)nona-6,8-dien-2-ol is sourced from PubChem (CID 143107857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).