(3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine

C11H18FNO — CID 163241946

IUPAC(3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(\C=C/CCC)OC(C)F
InChIInChI=1S/C11H18FNO/c1-4-5-6-7-11(8-9(2)13)14-10(3)12/h6-8,10H,2,4-5,13H2,1,3H3/b7-6-,11-8+
InChIKeyKVPWWFGOMYXCDK-BQGCWICQSA-N
MW199.27 g/mol
LogP3.03
Rot. Bonds6

About (3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine

(3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine (PubChem CID 163241946) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is (3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine
PubChem CID163241946
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name(3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(\C=C/CCC)OC(C)F
InChIInChI=1S/C11H18FNO/c1-4-5-6-7-11(8-9(2)13)14-10(3)12/h6-8,10H,2,4-5,13H2,1,3H3/b7-6-,11-8+
InChIKeyKVPWWFGOMYXCDK-BQGCWICQSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine?
The IUPAC name of (3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine (CID 163241946) is (3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine.
What is the SMILES notation for (3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine?
The canonical SMILES for (3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine is C=C(N)/C=C(\C=C/CCC)OC(C)F.
What is the InChIKey of (3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine?
The InChIKey is KVPWWFGOMYXCDK-BQGCWICQSA-N. The full InChI is InChI=1S/C11H18FNO/c1-4-5-6-7-11(8-9(2)13)14-10(3)12/h6-8,10H,2,4-5,13H2,1,3H3/b7-6-,11-8+.
What are the key properties of (3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine?
(3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine has a molecular weight of 199.27 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine is sourced from PubChem (CID 163241946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).