(1E)-N-ethenyl-N,2,4-trimethyl-4-(trifluoromethyl)hexa-1,5-dien-1-amine

C12H18F3N — CID 159433973

IUPAC(1E)-N-ethenyl-N,2,4-trimethyl-4-(trifluoromethyl)hexa-1,5-dien-1-amine
SMILESC=CN(C)/C=C(\C)CC(C)(C=C)C(F)(F)F
InChIInChI=1S/C12H18F3N/c1-6-11(4,12(13,14)15)8-10(3)9-16(5)7-2/h6-7,9H,1-2,8H2,3-5H3/b10-9+
InChIKeyLRIINEAKTBQHIR-MDZDMXLPSA-N
MW233.28 g/mol
LogP4.11
Rot. Bonds5

About (1E)-N-ethenyl-N,2,4-trimethyl-4-(trifluoromethyl)hexa-1,5-dien-1-amine

(1E)-N-ethenyl-N,2,4-trimethyl-4-(trifluoromethyl)hexa-1,5-dien-1-amine (PubChem CID 159433973) has the molecular formula C12H18F3N and a molecular weight of 233.28 g/mol. Its IUPAC name is (1E)-N-ethenyl-N,2,4-trimethyl-4-(trifluoromethyl)hexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(1E)-N-ethenyl-N,2,4-trimethyl-4-(trifluoromethyl)hexa-1,5-dien-1-amine
PubChem CID159433973
Molecular FormulaC12H18F3N
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name(1E)-N-ethenyl-N,2,4-trimethyl-4-(trifluoromethyl)hexa-1,5-dien-1-amine
SMILESC=CN(C)/C=C(\C)CC(C)(C=C)C(F)(F)F
InChIInChI=1S/C12H18F3N/c1-6-11(4,12(13,14)15)8-10(3)9-16(5)7-2/h6-7,9H,1-2,8H2,3-5H3/b10-9+
InChIKeyLRIINEAKTBQHIR-MDZDMXLPSA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (1E)-N-ethenyl-N,2,4-trimethyl-4-(trifluoromethyl)hexa-1,5-dien-1-amine?
The IUPAC name of (1E)-N-ethenyl-N,2,4-trimethyl-4-(trifluoromethyl)hexa-1,5-dien-1-amine (CID 159433973) is (1E)-N-ethenyl-N,2,4-trimethyl-4-(trifluoromethyl)hexa-1,5-dien-1-amine.
What is the SMILES notation for (1E)-N-ethenyl-N,2,4-trimethyl-4-(trifluoromethyl)hexa-1,5-dien-1-amine?
The canonical SMILES for (1E)-N-ethenyl-N,2,4-trimethyl-4-(trifluoromethyl)hexa-1,5-dien-1-amine is C=CN(C)/C=C(\C)CC(C)(C=C)C(F)(F)F.
What is the InChIKey of (1E)-N-ethenyl-N,2,4-trimethyl-4-(trifluoromethyl)hexa-1,5-dien-1-amine?
The InChIKey is LRIINEAKTBQHIR-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H18F3N/c1-6-11(4,12(13,14)15)8-10(3)9-16(5)7-2/h6-7,9H,1-2,8H2,3-5H3/b10-9+.
What are the key properties of (1E)-N-ethenyl-N,2,4-trimethyl-4-(trifluoromethyl)hexa-1,5-dien-1-amine?
(1E)-N-ethenyl-N,2,4-trimethyl-4-(trifluoromethyl)hexa-1,5-dien-1-amine has a molecular weight of 233.28 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-ethenyl-N,2,4-trimethyl-4-(trifluoromethyl)hexa-1,5-dien-1-amine is sourced from PubChem (CID 159433973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).