(3Z,5Z)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)octa-1,3,5,7-tetraen-4-amine

C12H16F3N — CID 168983385

IUPAC(3Z,5Z)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)octa-1,3,5,7-tetraen-4-amine
SMILESC=C/C=C\C(=C(/C)C=C)N(C)CC(F)(F)F
InChIInChI=1S/C12H16F3N/c1-5-7-8-11(10(3)6-2)16(4)9-12(13,14)15/h5-8H,1-2,9H2,3-4H3/b8-7-,11-10-
InChIKeyFJECYKBQBMKNGT-NQLNTKRDSA-N
MW231.26 g/mol
LogP3.68
Rot. Bonds5

About (3Z,5Z)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)octa-1,3,5,7-tetraen-4-amine

(3Z,5Z)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)octa-1,3,5,7-tetraen-4-amine (PubChem CID 168983385) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is (3Z,5Z)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)octa-1,3,5,7-tetraen-4-amine.

Molecular Properties

Compound Name(3Z,5Z)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)octa-1,3,5,7-tetraen-4-amine
PubChem CID168983385
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name(3Z,5Z)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)octa-1,3,5,7-tetraen-4-amine
SMILESC=C/C=C\C(=C(/C)C=C)N(C)CC(F)(F)F
InChIInChI=1S/C12H16F3N/c1-5-7-8-11(10(3)6-2)16(4)9-12(13,14)15/h5-8H,1-2,9H2,3-4H3/b8-7-,11-10-
InChIKeyFJECYKBQBMKNGT-NQLNTKRDSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.68
H-Bond Donors ≤ 50
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 (3Z,5Z)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)octa-1,3,5,7-tetraen-4-amine?
The IUPAC name of (3Z,5Z)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)octa-1,3,5,7-tetraen-4-amine (CID 168983385) is (3Z,5Z)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)octa-1,3,5,7-tetraen-4-amine.
What is the SMILES notation for (3Z,5Z)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)octa-1,3,5,7-tetraen-4-amine?
The canonical SMILES for (3Z,5Z)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)octa-1,3,5,7-tetraen-4-amine is C=C/C=C\C(=C(/C)C=C)N(C)CC(F)(F)F.
What is the InChIKey of (3Z,5Z)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)octa-1,3,5,7-tetraen-4-amine?
The InChIKey is FJECYKBQBMKNGT-NQLNTKRDSA-N. The full InChI is InChI=1S/C12H16F3N/c1-5-7-8-11(10(3)6-2)16(4)9-12(13,14)15/h5-8H,1-2,9H2,3-4H3/b8-7-,11-10-.
What are the key properties of (3Z,5Z)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)octa-1,3,5,7-tetraen-4-amine?
(3Z,5Z)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)octa-1,3,5,7-tetraen-4-amine has a molecular weight of 231.26 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)octa-1,3,5,7-tetraen-4-amine is sourced from PubChem (CID 168983385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).