(3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine

C11H16F3N — CID 167210327

IUPAC(3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine
SMILESC=C(/C=C(\C=C/CC)C(F)(F)F)N(C)C
InChIInChI=1S/C11H16F3N/c1-5-6-7-10(11(12,13)14)8-9(2)15(3)4/h6-8H,2,5H2,1,3-4H3/b7-6-,10-8+
InChIKeyKDMUJMGYTNYKLU-VAAURPRASA-N
MW219.25 g/mol
LogP3.52
Rot. Bonds4

About (3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine

(3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine (PubChem CID 167210327) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine
PubChem CID167210327
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine
SMILESC=C(/C=C(\C=C/CC)C(F)(F)F)N(C)C
InChIInChI=1S/C11H16F3N/c1-5-6-7-10(11(12,13)14)8-9(2)15(3)4/h6-8H,2,5H2,1,3-4H3/b7-6-,10-8+
InChIKeyKDMUJMGYTNYKLU-VAAURPRASA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine?
The IUPAC name of (3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine (CID 167210327) is (3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine?
The canonical SMILES for (3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine is C=C(/C=C(\C=C/CC)C(F)(F)F)N(C)C.
What is the InChIKey of (3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine?
The InChIKey is KDMUJMGYTNYKLU-VAAURPRASA-N. The full InChI is InChI=1S/C11H16F3N/c1-5-6-7-10(11(12,13)14)8-9(2)15(3)4/h6-8H,2,5H2,1,3-4H3/b7-6-,10-8+.
What are the key properties of (3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine?
(3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine has a molecular weight of 219.25 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine is sourced from PubChem (CID 167210327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).