2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine

C10H11F3IN — CID 43755062

IUPAC2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine
SMILESCC(NCC(F)(F)F)c1ccc(I)cc1
InChIInChI=1S/C10H11F3IN/c1-7(15-6-10(11,12)13)8-2-4-9(14)5-3-8/h2-5,7,15H,6H2,1H3
InChIKeyFDQVMXGKDJSESD-UHFFFAOYSA-N
MW329.10 g/mol
LogP3.50
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine

2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine (PubChem CID 43755062) has the molecular formula C10H11F3IN and a molecular weight of 329.10 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine
PubChem CID43755062
Molecular FormulaC10H11F3IN
Molecular Weight329.10 g/mol
Exact Mass328.99
IUPAC Name2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine
SMILESCC(NCC(F)(F)F)c1ccc(I)cc1
InChIInChI=1S/C10H11F3IN/c1-7(15-6-10(11,12)13)8-2-4-9(14)5-3-8/h2-5,7,15H,6H2,1H3
InChIKeyFDQVMXGKDJSESD-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 172883235
N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115728734
N-[1-(4-iodophenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115726027
N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
CID 63451569
N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81359086
N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
CID 24697682
2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine
CID 24694524
2-[1-(4-iodophenyl)ethylamino]acetic acid
CID 43774198
(1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine
CID 93281051
N-[1-(4-iodophenyl)ethyl]hexan-1-amine
CID 43769665
3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol
CID 66175909
N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine
CID 43769130

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine (CID 43755062) is 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine is CC(NCC(F)(F)F)c1ccc(I)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine?
The InChIKey is FDQVMXGKDJSESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3IN/c1-7(15-6-10(11,12)13)8-2-4-9(14)5-3-8/h2-5,7,15H,6H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine?
2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine has a molecular weight of 329.10 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine is sourced from PubChem (CID 43755062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).