(1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine

C9H12F3N — CID 129195925

IUPAC(1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C\N(C)C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-4-5-8(9(10,11)12)6-7-13(2)3/h4-7H,1H2,2-3H3/b7-6+,8-5+
InChIKeyAREXLGWDYYEMAW-ZCOYIIAOSA-N
MW191.20 g/mol
LogP2.74
Rot. Bonds3

About (1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine

(1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine (PubChem CID 129195925) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine
PubChem CID129195925
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C\N(C)C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-4-5-8(9(10,11)12)6-7-13(2)3/h4-7H,1H2,2-3H3/b7-6+,8-5+
InChIKeyAREXLGWDYYEMAW-ZCOYIIAOSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.74
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,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine (CID 129195925) is (1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine is C=C/C=C(\C=C\N(C)C)C(F)(F)F.
What is the InChIKey of (1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
The InChIKey is AREXLGWDYYEMAW-ZCOYIIAOSA-N. The full InChI is InChI=1S/C9H12F3N/c1-4-5-8(9(10,11)12)6-7-13(2)3/h4-7H,1H2,2-3H3/b7-6+,8-5+.
What are the key properties of (1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
(1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine has a molecular weight of 191.20 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 129195925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).