(1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine

C9H10F3NO — CID 156699931

IUPAC(1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine
SMILES[2H]C([2H])([2H])[C@@H](N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-6H,13H2,1H3/t6-/m1/s1/i1D3
InChIKeyXRRKIDIISISOKH-IVAVZGRVSA-N
MW208.20 g/mol
LogP2.60
Rot. Bonds3

About (1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine

(1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 156699931) has the molecular formula C9H10F3NO and a molecular weight of 208.20 g/mol. Its IUPAC name is (1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine
PubChem CID156699931
Molecular FormulaC9H10F3NO
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Name(1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine
SMILES[2H]C([2H])([2H])[C@@H](N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-6H,13H2,1H3/t6-/m1/s1/i1D3
InChIKeyXRRKIDIISISOKH-IVAVZGRVSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 79197999
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171161777
(1S)-2-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 171229811
(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 94895047
(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171210172
2-amino-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104709
(1R)-3-methyl-1-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 171210205
(1S,2R)-1-amino-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171161785
(1S)-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171229785
(S)-2-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]propane-2-sulfinamide;(1S)-1-[3-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 157229998

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of (1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine (CID 156699931) is (1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine is [2H]C([2H])([2H])[C@@H](N)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is XRRKIDIISISOKH-IVAVZGRVSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-6H,13H2,1H3/t6-/m1/s1/i1D3.
What are the key properties of (1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine?
(1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 208.20 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 156699931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).