(2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine

C11H16F3N — CID 126548953

IUPAC(2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine
SMILESC/C=C\C(=C/C=C(\C)C(F)(F)F)NCC
InChIInChI=1S/C11H16F3N/c1-4-6-10(15-5-2)8-7-9(3)11(12,13)14/h4,6-8,15H,5H2,1-3H3/b6-4-,9-7+,10-8+
InChIKeyKNDVPILDRIJVRV-DILYWIELSA-N
MW219.25 g/mol
LogP3.56
Rot. Bonds4

About (2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine

(2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine (PubChem CID 126548953) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine.

Molecular Properties

Compound Name(2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine
PubChem CID126548953
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine
SMILESC/C=C\C(=C/C=C(\C)C(F)(F)F)NCC
InChIInChI=1S/C11H16F3N/c1-4-6-10(15-5-2)8-7-9(3)11(12,13)14/h4,6-8,15H,5H2,1-3H3/b6-4-,9-7+,10-8+
InChIKeyKNDVPILDRIJVRV-DILYWIELSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.56
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,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine?
The IUPAC name of (2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine (CID 126548953) is (2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine.
What is the SMILES notation for (2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine?
The canonical SMILES for (2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine is C/C=C\C(=C/C=C(\C)C(F)(F)F)NCC.
What is the InChIKey of (2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine?
The InChIKey is KNDVPILDRIJVRV-DILYWIELSA-N. The full InChI is InChI=1S/C11H16F3N/c1-4-6-10(15-5-2)8-7-9(3)11(12,13)14/h4,6-8,15H,5H2,1-3H3/b6-4-,9-7+,10-8+.
What are the key properties of (2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine?
(2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine has a molecular weight of 219.25 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine is sourced from PubChem (CID 126548953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).