(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine

C10H11BrF3NO — CID 102946643

IUPAC(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Br)cc1OCC(F)(F)F
InChIInChI=1S/C10H11BrF3NO/c1-6(15)8-3-2-7(11)4-9(8)16-5-10(12,13)14/h2-4,6H,5,15H2,1H3/t6-/m1/s1
InChIKeyHRFLRTXRHWCKGR-ZCFIWIBFSA-N
MW298.10 g/mol
LogP3.41
Rot. Bonds3

About (1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine

(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine (PubChem CID 102946643) has the molecular formula C10H11BrF3NO and a molecular weight of 298.10 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
PubChem CID102946643
Molecular FormulaC10H11BrF3NO
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Br)cc1OCC(F)(F)F
InChIInChI=1S/C10H11BrF3NO/c1-6(15)8-3-2-7(11)4-9(8)16-5-10(12,13)14/h2-4,6H,5,15H2,1H3/t6-/m1/s1
InChIKeyHRFLRTXRHWCKGR-ZCFIWIBFSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanamine
CID 106704814
(1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
CID 102948938
1-[4-bromo-2-(2,2-difluoro-2-phenylethoxy)phenyl]ethanamine
CID 102946387
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene
CID 155928749
1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 102946292
(1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine
CID 102946785
2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide
CID 102946264
(1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 102946902
1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
CID 102946236
4-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]butan-2-ol
CID 102947266
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine (CID 102946643) is (1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine is C[C@@H](N)c1ccc(Br)cc1OCC(F)(F)F.
What is the InChIKey of (1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine?
The InChIKey is HRFLRTXRHWCKGR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11BrF3NO/c1-6(15)8-3-2-7(11)4-9(8)16-5-10(12,13)14/h2-4,6H,5,15H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine?
(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine has a molecular weight of 298.10 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine is sourced from PubChem (CID 102946643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).