(2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine

C9H12F3NO — CID 144992736

IUPAC(2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine
SMILESC=C/C(=C\C(=C/C)OC(F)(F)F)CN
InChIInChI=1S/C9H12F3NO/c1-3-7(6-13)5-8(4-2)14-9(10,11)12/h3-5H,1,6,13H2,2H3/b7-5+,8-4+
InChIKeyIQNCOGRPXOVUMV-JBVHCYJISA-N
MW207.19 g/mol
LogP2.50
Rot. Bonds4

About (2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine

(2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine (PubChem CID 144992736) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine
PubChem CID144992736
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name(2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine
SMILESC=C/C(=C\C(=C/C)OC(F)(F)F)CN
InChIInChI=1S/C9H12F3NO/c1-3-7(6-13)5-8(4-2)14-9(10,11)12/h3-5H,1,6,13H2,2H3/b7-5+,8-4+
InChIKeyIQNCOGRPXOVUMV-JBVHCYJISA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.50
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

(E)-2-ethenylbut-2-en-1-amine
CID 142131613
(3Z,5E)-2-fluoro-3-methyl-5-(trifluoromethoxy)hepta-1,3,5-triene
CID 135268108
ethane;(3E)-3-(trifluoromethoxy)hexa-1,3,5-triene
CID 157037906
(2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine
CID 155051577
ethene;(E)-2-ethenylbut-2-en-1-ol
CID 142149332
ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
CID 143793219
(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienal
CID 144711448
2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine
CID 162268254
(3E)-3-methyl-4-(trifluoromethoxy)penta-1,3-diene
CID 143902904
(2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene
CID 144630019
(2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene
CID 156533724
ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen
CID 144901462

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine (CID 144992736) is (2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine is C=C/C(=C\C(=C/C)OC(F)(F)F)CN.
What is the InChIKey of (2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine?
The InChIKey is IQNCOGRPXOVUMV-JBVHCYJISA-N. The full InChI is InChI=1S/C9H12F3NO/c1-3-7(6-13)5-8(4-2)14-9(10,11)12/h3-5H,1,6,13H2,2H3/b7-5+,8-4+.
What are the key properties of (2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine?
(2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine has a molecular weight of 207.19 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine is sourced from PubChem (CID 144992736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).