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

C9H16F3N — CID 170259421

IUPAC(E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine
SMILESC/C=C(\CC)CCNCC(F)(F)F
InChIInChI=1S/C9H16F3N/c1-3-8(4-2)5-6-13-7-9(10,11)12/h3,13H,4-7H2,1-2H3/b8-3+
InChIKeySZTPPCAOHGETDC-FPYGCLRLSA-N
MW195.23 g/mol
LogP2.88
Rot. Bonds5

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

(E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine (PubChem CID 170259421) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine
PubChem CID170259421
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name(E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine
SMILESC/C=C(\CC)CCNCC(F)(F)F
InChIInChI=1S/C9H16F3N/c1-3-8(4-2)5-6-13-7-9(10,11)12/h3,13H,4-7H2,1-2H3/b8-3+
InChIKeySZTPPCAOHGETDC-FPYGCLRLSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.88
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)pent-3-en-1-amine?
The IUPAC name of (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine (CID 170259421) is (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine is C/C=C(\CC)CCNCC(F)(F)F.
What is the InChIKey of (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine?
The InChIKey is SZTPPCAOHGETDC-FPYGCLRLSA-N. The full InChI is InChI=1S/C9H16F3N/c1-3-8(4-2)5-6-13-7-9(10,11)12/h3,13H,4-7H2,1-2H3/b8-3+.
What are the key properties of (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine?
(E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.88, 5 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)pent-3-en-1-amine is sourced from PubChem (CID 170259421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).