(E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine

C10H18F3N — CID 170260476

IUPAC(E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine
SMILESCC/C=C(\CC)CCNCC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-3-5-9(4-2)6-7-14-8-10(11,12)13/h5,14H,3-4,6-8H2,1-2H3/b9-5+
InChIKeyHTWAMAYTTJYSJF-WEVVVXLNSA-N
MW209.25 g/mol
LogP3.27
Rot. Bonds6

About (E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine

(E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine (PubChem CID 170260476) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is (E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine.

Molecular Properties

Compound Name(E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine
PubChem CID170260476
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name(E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine
SMILESCC/C=C(\CC)CCNCC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-3-5-9(4-2)6-7-14-8-10(11,12)13/h5,14H,3-4,6-8H2,1-2H3/b9-5+
InChIKeyHTWAMAYTTJYSJF-WEVVVXLNSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine?
The IUPAC name of (E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine (CID 170260476) is (E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine.
What is the SMILES notation for (E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine?
The canonical SMILES for (E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine is CC/C=C(\CC)CCNCC(F)(F)F.
What is the InChIKey of (E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine?
The InChIKey is HTWAMAYTTJYSJF-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H18F3N/c1-3-5-9(4-2)6-7-14-8-10(11,12)13/h5,14H,3-4,6-8H2,1-2H3/b9-5+.
What are the key properties of (E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine?
(E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine is sourced from PubChem (CID 170260476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).