(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine

C9H12F3N — CID 89140162

IUPAC(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
SMILESC=C/C(C)=C(\C=C(\C)N)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-4-6(2)8(5-7(3)13)9(10,11)12/h4-5H,1,13H2,2-3H3/b7-5-,8-6+
InChIKeyLLCDNGTXDWFBQU-CGXWXWIYSA-N
MW191.20 g/mol
LogP2.91
Rot. Bonds2

About (2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine

(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine (PubChem CID 89140162) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
PubChem CID89140162
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
SMILESC=C/C(C)=C(\C=C(\C)N)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-4-6(2)8(5-7(3)13)9(10,11)12/h4-5H,1,13H2,2-3H3/b7-5-,8-6+
InChIKeyLLCDNGTXDWFBQU-CGXWXWIYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
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 (2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine (CID 89140162) is (2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine is C=C/C(C)=C(\C=C(\C)N)C(F)(F)F.
What is the InChIKey of (2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine?
The InChIKey is LLCDNGTXDWFBQU-CGXWXWIYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-4-6(2)8(5-7(3)13)9(10,11)12/h4-5H,1,13H2,2-3H3/b7-5-,8-6+.
What are the key properties of (2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine?
(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine has a molecular weight of 191.20 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine is sourced from PubChem (CID 89140162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).