(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine

C10H14F3N — CID 142547623

IUPAC(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine
SMILESC=C/C(=C\C(=C)C)C(N)CC(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-8(5-7(2)3)9(14)6-10(11,12)13/h4-5,9H,1-2,6,14H2,3H3/b8-5+
InChIKeyGGDIZHYWDSKPLE-VMPITWQZSA-N
MW205.22 g/mol
LogP2.95
Rot. Bonds4

About (4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine

(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine (PubChem CID 142547623) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine.

Molecular Properties

Compound Name(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine
PubChem CID142547623
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine
SMILESC=C/C(=C\C(=C)C)C(N)CC(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-8(5-7(2)3)9(14)6-10(11,12)13/h4-5,9H,1-2,6,14H2,3H3/b8-5+
InChIKeyGGDIZHYWDSKPLE-VMPITWQZSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.95
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 (4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine?
The IUPAC name of (4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine (CID 142547623) is (4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine.
What is the SMILES notation for (4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine?
The canonical SMILES for (4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine is C=C/C(=C\C(=C)C)C(N)CC(F)(F)F.
What is the InChIKey of (4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine?
The InChIKey is GGDIZHYWDSKPLE-VMPITWQZSA-N. The full InChI is InChI=1S/C10H14F3N/c1-4-8(5-7(2)3)9(14)6-10(11,12)13/h4-5,9H,1-2,6,14H2,3H3/b8-5+.
What are the key properties of (4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine?
(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine has a molecular weight of 205.22 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine is sourced from PubChem (CID 142547623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).