1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine

C12H13F6NO — CID 103214868

IUPAC1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESNC(COCC(F)(F)F)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F6NO/c13-11(14,15)7-20-6-10(19)5-8-2-1-3-9(4-8)12(16,17)18/h1-4,10H,5-7,19H2
InChIKeyBXIWWUFJRAXFSK-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.15
Rot. Bonds5

About 1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine

1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 103214868) has the molecular formula C12H13F6NO and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID103214868
Molecular FormulaC12H13F6NO
Molecular Weight301.23 g/mol
Exact Mass301.09
IUPAC Name1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESNC(COCC(F)(F)F)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F6NO/c13-11(14,15)7-20-6-10(19)5-8-2-1-3-9(4-8)12(16,17)18/h1-4,10H,5-7,19H2
InChIKeyBXIWWUFJRAXFSK-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214941
[(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride
CID 86694778
1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216527
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
4-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 103147587
1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214570
1-tert-butylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65132993
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62605037

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 103214868) is 1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine is NC(COCC(F)(F)F)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is BXIWWUFJRAXFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6NO/c13-11(14,15)7-20-6-10(19)5-8-2-1-3-9(4-8)12(16,17)18/h1-4,10H,5-7,19H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 301.23 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 103214868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).