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

C7H12F3N — CID 90945851

IUPAC(E)-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine
SMILESC/C=C/CCNCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-2-3-4-5-11-6-7(8,9)10/h2-3,11H,4-6H2,1H3/b3-2+
InChIKeyGFOAVQWQUGOOBG-NSCUHMNNSA-N
MW167.17 g/mol
LogP2.10
Rot. Bonds4

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

(E)-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine (PubChem CID 90945851) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is (E)-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine
PubChem CID90945851
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name(E)-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine
SMILESC/C=C/CCNCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-2-3-4-5-11-6-7(8,9)10/h2-3,11H,4-6H2,1H3/b3-2+
InChIKeyGFOAVQWQUGOOBG-NSCUHMNNSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.10
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)-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine (CID 90945851) is (E)-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine is C/C=C/CCNCC(F)(F)F.
What is the InChIKey of (E)-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine?
The InChIKey is GFOAVQWQUGOOBG-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H12F3N/c1-2-3-4-5-11-6-7(8,9)10/h2-3,11H,4-6H2,1H3/b3-2+.
What are the key properties of (E)-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine?
(E)-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine has a molecular weight of 167.17 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine is sourced from PubChem (CID 90945851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).