(E)-3-(trifluoromethyl)pent-2-en-1-amine

C6H10F3N — CID 88915468

IUPAC(E)-3-(trifluoromethyl)pent-2-en-1-amine
SMILESCC/C(=C\CN)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-2-5(3-4-10)6(7,8)9/h3H,2,4,10H2,1H3/b5-3+
InChIKeyFZZVFARDECRGML-HWKANZROSA-N
MW153.15 g/mol
LogP1.84
Rot. Bonds2

About (E)-3-(trifluoromethyl)pent-2-en-1-amine

(E)-3-(trifluoromethyl)pent-2-en-1-amine (PubChem CID 88915468) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is (E)-3-(trifluoromethyl)pent-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(trifluoromethyl)pent-2-en-1-amine
PubChem CID88915468
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name(E)-3-(trifluoromethyl)pent-2-en-1-amine
SMILESCC/C(=C\CN)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-2-5(3-4-10)6(7,8)9/h3H,2,4,10H2,1H3/b5-3+
InChIKeyFZZVFARDECRGML-HWKANZROSA-N
XLogP1.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(trifluoromethyl)pent-2-en-1-amine?
The IUPAC name of (E)-3-(trifluoromethyl)pent-2-en-1-amine (CID 88915468) is (E)-3-(trifluoromethyl)pent-2-en-1-amine.
What is the SMILES notation for (E)-3-(trifluoromethyl)pent-2-en-1-amine?
The canonical SMILES for (E)-3-(trifluoromethyl)pent-2-en-1-amine is CC/C(=C\CN)C(F)(F)F.
What is the InChIKey of (E)-3-(trifluoromethyl)pent-2-en-1-amine?
The InChIKey is FZZVFARDECRGML-HWKANZROSA-N. The full InChI is InChI=1S/C6H10F3N/c1-2-5(3-4-10)6(7,8)9/h3H,2,4,10H2,1H3/b5-3+.
What are the key properties of (E)-3-(trifluoromethyl)pent-2-en-1-amine?
(E)-3-(trifluoromethyl)pent-2-en-1-amine has a molecular weight of 153.15 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(trifluoromethyl)pent-2-en-1-amine is sourced from PubChem (CID 88915468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).