(1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine

C7H10F3N — CID 166783133

IUPAC(1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine
SMILESC=C/C(=C\N(C)C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-4-6(5-11(2)3)7(8,9)10/h4-5H,1H2,2-3H3/b6-5+
InChIKeyFUYZPUALAXGKKA-AATRIKPKSA-N
MW165.16 g/mol
LogP2.18
Rot. Bonds2

About (1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine

(1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine (PubChem CID 166783133) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine
PubChem CID166783133
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine
SMILESC=C/C(=C\N(C)C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-4-6(5-11(2)3)7(8,9)10/h4-5H,1H2,2-3H3/b6-5+
InChIKeyFUYZPUALAXGKKA-AATRIKPKSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.18
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 (1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine?
The IUPAC name of (1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine (CID 166783133) is (1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine is C=C/C(=C\N(C)C)C(F)(F)F.
What is the InChIKey of (1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine?
The InChIKey is FUYZPUALAXGKKA-AATRIKPKSA-N. The full InChI is InChI=1S/C7H10F3N/c1-4-6(5-11(2)3)7(8,9)10/h4-5H,1H2,2-3H3/b6-5+.
What are the key properties of (1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine?
(1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine has a molecular weight of 165.16 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 166783133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).