N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine

C11H11F6NO — CID 82710637

IUPACN-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NOCC(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F6NO/c1-7(18-19-6-10(12,13)14)8-3-2-4-9(5-8)11(15,16)17/h2-5,7,18H,6H2,1H3
InChIKeyRWOKQDKKVCFFKM-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.85
Rot. Bonds4

About N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine

N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 82710637) has the molecular formula C11H11F6NO and a molecular weight of 287.20 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID82710637
Molecular FormulaC11H11F6NO
Molecular Weight287.20 g/mol
Exact Mass287.07
IUPAC NameN-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NOCC(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F6NO/c1-7(18-19-6-10(12,13)14)8-3-2-4-9(5-8)11(15,16)17/h2-5,7,18H,6H2,1H3
InChIKeyRWOKQDKKVCFFKM-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82711120
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43110480
1-(1,3-benzodioxol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82711448
2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol
CID 104860556
N-[(4-methylcyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63464067
methyl (2Z)-2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]oxymethyl]phenyl]acetate
CID 18433736
1-(4-chloropentan-2-yl)-3-(trifluoromethyl)benzene
CID 64718796
1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 105495799
ethyl 2-[1-[3-(trifluoromethyl)phenyl]ethylamino]propanoate
CID 61498388
2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propanenitrile
CID 55023215
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 82710637) is N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine is CC(NOCC(F)(F)F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is RWOKQDKKVCFFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO/c1-7(18-19-6-10(12,13)14)8-3-2-4-9(5-8)11(15,16)17/h2-5,7,18H,6H2,1H3.
What are the key properties of N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 287.20 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 82710637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).