(2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine

C9H14F3N — CID 89073932

IUPAC(2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine
SMILESC=CCC(/C=C(/C)CN)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-3-4-8(9(10,11)12)5-7(2)6-13/h3,5,8H,1,4,6,13H2,2H3/b7-5-
InChIKeyZADCIZNXCUBJMD-ALCCZGGFSA-N
MW193.21 g/mol
LogP2.65
Rot. Bonds4

About (2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine

(2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine (PubChem CID 89073932) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is (2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine
PubChem CID89073932
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name(2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine
SMILESC=CCC(/C=C(/C)CN)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-3-4-8(9(10,11)12)5-7(2)6-13/h3,5,8H,1,4,6,13H2,2H3/b7-5-
InChIKeyZADCIZNXCUBJMD-ALCCZGGFSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
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 (2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine?
The IUPAC name of (2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine (CID 89073932) is (2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine.
What is the SMILES notation for (2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine?
The canonical SMILES for (2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine is C=CCC(/C=C(/C)CN)C(F)(F)F.
What is the InChIKey of (2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine?
The InChIKey is ZADCIZNXCUBJMD-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H14F3N/c1-3-4-8(9(10,11)12)5-7(2)6-13/h3,5,8H,1,4,6,13H2,2H3/b7-5-.
What are the key properties of (2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine?
(2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine has a molecular weight of 193.21 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine is sourced from PubChem (CID 89073932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).