(1Z,3E)-5-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine

C9H14F3N — CID 147532091

IUPAC(1Z,3E)-5-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine
SMILESCCC(C)/C=C(\C=C/N)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-3-7(2)6-8(4-5-13)9(10,11)12/h4-7H,3,13H2,1-2H3/b5-4-,8-6+
InChIKeyFNFSXSRZQVGEKB-GSGSLZOQSA-N
MW193.21 g/mol
LogP2.99
Rot. Bonds3

About (1Z,3E)-5-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine

(1Z,3E)-5-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine (PubChem CID 147532091) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is (1Z,3E)-5-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-5-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine
PubChem CID147532091
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name(1Z,3E)-5-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine
SMILESCCC(C)/C=C(\C=C/N)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-3-7(2)6-8(4-5-13)9(10,11)12/h4-7H,3,13H2,1-2H3/b5-4-,8-6+
InChIKeyFNFSXSRZQVGEKB-GSGSLZOQSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.99
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 (1Z,3E)-5-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-5-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine (CID 147532091) is (1Z,3E)-5-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-5-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-5-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine is CCC(C)/C=C(\C=C/N)C(F)(F)F.
What is the InChIKey of (1Z,3E)-5-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine?
The InChIKey is FNFSXSRZQVGEKB-GSGSLZOQSA-N. The full InChI is InChI=1S/C9H14F3N/c1-3-7(2)6-8(4-5-13)9(10,11)12/h4-7H,3,13H2,1-2H3/b5-4-,8-6+.
What are the key properties of (1Z,3E)-5-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine?
(1Z,3E)-5-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine has a molecular weight of 193.21 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-5-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine is sourced from PubChem (CID 147532091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).