(2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine

C10H14F3N — CID 88963377

IUPAC(2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine
SMILESC=C/C(=C\C=C(/N)C(F)(F)F)CCC
InChIInChI=1S/C10H14F3N/c1-3-5-8(4-2)6-7-9(14)10(11,12)13/h4,6-7H,2-3,5,14H2,1H3/b8-6+,9-7-
InChIKeyAAGANSIJDBUMPD-FFELTBSMSA-N
MW205.22 g/mol
LogP3.30
Rot. Bonds4

About (2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine

(2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine (PubChem CID 88963377) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine
PubChem CID88963377
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine
SMILESC=C/C(=C\C=C(/N)C(F)(F)F)CCC
InChIInChI=1S/C10H14F3N/c1-3-5-8(4-2)6-7-9(14)10(11,12)13/h4,6-7H,2-3,5,14H2,1H3/b8-6+,9-7-
InChIKeyAAGANSIJDBUMPD-FFELTBSMSA-N
XLogP3.30
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 ≤ 53.30
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,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine (CID 88963377) is (2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine is C=C/C(=C\C=C(/N)C(F)(F)F)CCC.
What is the InChIKey of (2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine?
The InChIKey is AAGANSIJDBUMPD-FFELTBSMSA-N. The full InChI is InChI=1S/C10H14F3N/c1-3-5-8(4-2)6-7-9(14)10(11,12)13/h4,6-7H,2-3,5,14H2,1H3/b8-6+,9-7-.
What are the key properties of (2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine?
(2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine has a molecular weight of 205.22 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine is sourced from PubChem (CID 88963377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).