5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol

C8H7BrF3NO — CID 130612128

IUPAC5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol
SMILESN[C@@H](c1ccc(Br)c(O)c1)C(F)(F)F
InChIInChI=1S/C8H7BrF3NO/c9-5-2-1-4(3-6(5)14)7(13)8(10,11)12/h1-3,7,14H,13H2/t7-/m0/s1
InChIKeyQAOZKNIOCYZMJA-ZETCQYMHSA-N
MW270.05 g/mol
LogP2.72
Rot. Bonds1

About 5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol

5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol (PubChem CID 130612128) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol.

Molecular Properties

Compound Name5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol
PubChem CID130612128
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol
SMILESN[C@@H](c1ccc(Br)c(O)c1)C(F)(F)F
InChIInChI=1S/C8H7BrF3NO/c9-5-2-1-4(3-6(5)14)7(13)8(10,11)12/h1-3,7,14H,13H2/t7-/m0/s1
InChIKeyQAOZKNIOCYZMJA-ZETCQYMHSA-N
XLogP2.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol
CID 66510341
5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-methylphenol
CID 66510873
5-(1-amino-2-hydroxyethyl)-2-bromophenol
CID 84795164
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-2,6-dibromophenol
CID 66510459
5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol
CID 66511017
5-(1-amino-2-hydroxypropyl)-2-bromophenol
CID 130041665
4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol
CID 77128126
4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 138107889
[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-hydroxyphenyl] acetate
CID 171244321
[4-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-hydroxyphenyl] acetate;hydrochloride
CID 171251053
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-nitrophenol
CID 66511298
3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 171238998

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol?
The IUPAC name of 5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol (CID 130612128) is 5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol.
What is the SMILES notation for 5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol?
The canonical SMILES for 5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol is N[C@@H](c1ccc(Br)c(O)c1)C(F)(F)F.
What is the InChIKey of 5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol?
The InChIKey is QAOZKNIOCYZMJA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c9-5-2-1-4(3-6(5)14)7(13)8(10,11)12/h1-3,7,14H,13H2/t7-/m0/s1.
What are the key properties of 5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol?
5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol has a molecular weight of 270.05 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol is sourced from PubChem (CID 130612128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).