(2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine

C9H14F3NO — CID 143282277

IUPAC(2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine
SMILESC/C=C\C(C/C=C(\C)N)OC(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-3-4-8(6-5-7(2)13)14-9(10,11)12/h3-5,8H,6,13H2,1-2H3/b4-3-,7-5+
InChIKeyNKEKAYLQIUATOI-QVXLNCAUSA-N
MW209.21 g/mol
LogP2.72
Rot. Bonds4

About (2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine

(2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine (PubChem CID 143282277) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is (2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine.

Molecular Properties

Compound Name(2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine
PubChem CID143282277
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name(2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine
SMILESC/C=C\C(C/C=C(\C)N)OC(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-3-4-8(6-5-7(2)13)14-9(10,11)12/h3-5,8H,6,13H2,1-2H3/b4-3-,7-5+
InChIKeyNKEKAYLQIUATOI-QVXLNCAUSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine?
The IUPAC name of (2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine (CID 143282277) is (2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine.
What is the SMILES notation for (2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine?
The canonical SMILES for (2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine is C/C=C\C(C/C=C(\C)N)OC(F)(F)F.
What is the InChIKey of (2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine?
The InChIKey is NKEKAYLQIUATOI-QVXLNCAUSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-3-4-8(6-5-7(2)13)14-9(10,11)12/h3-5,8H,6,13H2,1-2H3/b4-3-,7-5+.
What are the key properties of (2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine?
(2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine has a molecular weight of 209.21 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine is sourced from PubChem (CID 143282277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).