(2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine

C11H16F3NO — CID 155442227

IUPAC(2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine
SMILESC/C=C\C(N)=C/C(=C/C(F)(F)CF)OCC
InChIInChI=1S/C11H16F3NO/c1-3-5-9(15)6-10(16-4-2)7-11(13,14)8-12/h3,5-7H,4,8,15H2,1-2H3/b5-3-,9-6+,10-7-
InChIKeyXQWIJLJRFAYRDA-DJOAEYODSA-N
MW235.25 g/mol
LogP2.93
Rot. Bonds6

About (2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine

(2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine (PubChem CID 155442227) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is (2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine.

Molecular Properties

Compound Name(2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine
PubChem CID155442227
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name(2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine
SMILESC/C=C\C(N)=C/C(=C/C(F)(F)CF)OCC
InChIInChI=1S/C11H16F3NO/c1-3-5-9(15)6-10(16-4-2)7-11(13,14)8-12/h3,5-7H,4,8,15H2,1-2H3/b5-3-,9-6+,10-7-
InChIKeyXQWIJLJRFAYRDA-DJOAEYODSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.93
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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Related Compounds

(3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine
CID 173489040
(2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene
CID 143146513
3,4-diethoxyhexa-2,4-diene
CID 141009141
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347
ethyl (E)-but-2-enoate;methanamine
CID 88817268
ethyl 3-amino-4,4-difluoropent-2-enoate
CID 129278751
(2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene
CID 156533724
(2-ethoxy-2-oxoethyl) (E)-but-2-enoate
CID 22635026
(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
CID 138740142
(2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene
CID 89265303
3-[ethoxy(methoxy)methyl]hexa-2,4-diene
CID 173460138
ethyl 2,3-difluoro-2-methylpropanoate
CID 141351249

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine?
The IUPAC name of (2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine (CID 155442227) is (2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine.
What is the SMILES notation for (2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine?
The canonical SMILES for (2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine is C/C=C\C(N)=C/C(=C/C(F)(F)CF)OCC.
What is the InChIKey of (2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine?
The InChIKey is XQWIJLJRFAYRDA-DJOAEYODSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-3-5-9(15)6-10(16-4-2)7-11(13,14)8-12/h3,5-7H,4,8,15H2,1-2H3/b5-3-,9-6+,10-7-.
What are the key properties of (2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine?
(2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine has a molecular weight of 235.25 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine is sourced from PubChem (CID 155442227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).