1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine

C11H8F9NO3 — CID 139966129

IUPAC1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OC(F)(F)F)c(OC(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C11H8F9NO3/c1-4(21)5-2-3-6(22-9(12,13)14)8(24-11(18,19)20)7(5)23-10(15,16)17/h2-4H,21H2,1H3
InChIKeyBCLORFLGHPHWPG-UHFFFAOYSA-N
MW373.17 g/mol
LogP4.40
Rot. Bonds4

About 1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine

1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine (PubChem CID 139966129) has the molecular formula C11H8F9NO3 and a molecular weight of 373.17 g/mol. Its IUPAC name is 1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine
PubChem CID139966129
Molecular FormulaC11H8F9NO3
Molecular Weight373.17 g/mol
Exact Mass373.04
IUPAC Name1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OC(F)(F)F)c(OC(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C11H8F9NO3/c1-4(21)5-2-3-6(22-9(12,13)14)8(24-11(18,19)20)7(5)23-10(15,16)17/h2-4H,21H2,1H3
InChIKeyBCLORFLGHPHWPG-UHFFFAOYSA-N
XLogP4.40
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.17
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine 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

2-methyl-1-[2,3,4,5-tetrakis(trifluoromethoxy)phenyl]propan-1-amine
CID 139966101
(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171208716
2-[(1S)-1-aminoethyl]-6-(trifluoromethoxy)phenol;hydrochloride
CID 171255504
1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 134237189
1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
N-methyl-1-[2,3,6-tris(trifluoromethoxy)phenyl]ethanamine
CID 139966111
2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene
CID 59987619
1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene
CID 173196133
N-methyl-1-[2,3,6-tris(trifluoromethoxy)phenyl]propan-1-amine
CID 139965798
2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116719687
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine
CID 139965810

Frequently Asked Questions

What is the IUPAC name of 1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine (CID 139966129) is 1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine is CC(N)c1ccc(OC(F)(F)F)c(OC(F)(F)F)c1OC(F)(F)F.
What is the InChIKey of 1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is BCLORFLGHPHWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F9NO3/c1-4(21)5-2-3-6(22-9(12,13)14)8(24-11(18,19)20)7(5)23-10(15,16)17/h2-4H,21H2,1H3.
What are the key properties of 1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine?
1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 373.17 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 139966129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).