N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine

C11H12F3N — CID 105000738

IUPACN-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine
SMILESC=CC(NCC)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H12F3N/c1-3-10(15-4-2)11-8(13)5-7(12)6-9(11)14/h3,5-6,10,15H,1,4H2,2H3
InChIKeySHFQIPPQNWZQFC-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.94
Rot. Bonds4

About N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine

N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine (PubChem CID 105000738) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine
PubChem CID105000738
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC NameN-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine
SMILESC=CC(NCC)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H12F3N/c1-3-10(15-4-2)11-8(13)5-7(12)6-9(11)14/h3,5-6,10,15H,1,4H2,2H3
InChIKeySHFQIPPQNWZQFC-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine
CID 105000917
1-(2,4,6-trifluorophenyl)prop-2-enylhydrazine
CID 105318054
N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine
CID 104986781
1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 114894862
2-[1-(ethylamino)ethyl]-3,5-difluorophenol
CID 104581572
1-(2-chloro-3-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 105000748
N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43490356
N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 105013108
N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 43490422
N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 43490426
2-[(2S)-1-[(R)-tert-butylsulfinyl]but-3-en-2-yl]-1,3,5-trifluorobenzene
CID 58439457
1-(4-bromo-3,5-dimethylphenyl)-N-ethylprop-2-en-1-amine
CID 114330650

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine (CID 105000738) is N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine is C=CC(NCC)c1c(F)cc(F)cc1F.
What is the InChIKey of N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine?
The InChIKey is SHFQIPPQNWZQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c1-3-10(15-4-2)11-8(13)5-7(12)6-9(11)14/h3,5-6,10,15H,1,4H2,2H3.
What are the key properties of N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine?
N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine has a molecular weight of 215.22 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 105000738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).