N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine

C12H14F3N — CID 105000583

IUPACN-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESC=CC(NCC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3N/c1-3-11(16-4-2)9-5-7-10(8-6-9)12(13,14)15/h3,5-8,11,16H,1,4H2,2H3
InChIKeyUWIXVZHMXQNQQB-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.54
Rot. Bonds4

About N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine

N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 105000583) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID105000583
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC NameN-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESC=CC(NCC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3N/c1-3-11(16-4-2)9-5-7-10(8-6-9)12(13,14)15/h3,5-8,11,16H,1,4H2,2H3
InChIKeyUWIXVZHMXQNQQB-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.54
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 N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 105000583) is N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine is C=CC(NCC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is UWIXVZHMXQNQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-3-11(16-4-2)9-5-7-10(8-6-9)12(13,14)15/h3,5-8,11,16H,1,4H2,2H3.
What are the key properties of N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 229.24 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 105000583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).