(2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol

C9H9BrF3NO — CID 66515645

IUPAC(2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
SMILESN[C@H](CO)c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C9H9BrF3NO/c10-7-2-5(8(14)4-15)1-6(3-7)9(11,12)13/h1-3,8,15H,4,14H2/t8-/m1/s1
InChIKeyFCMGTYDCYSTMGU-MRVPVSSYSA-N
MW284.08 g/mol
LogP2.46
Rot. Bonds2

About (2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol

(2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol (PubChem CID 66515645) has the molecular formula C9H9BrF3NO and a molecular weight of 284.08 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
PubChem CID66515645
Molecular FormulaC9H9BrF3NO
Molecular Weight284.08 g/mol
Exact Mass282.98
IUPAC Name(2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
SMILESN[C@H](CO)c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C9H9BrF3NO/c10-7-2-5(8(14)4-15)1-6(3-7)9(11,12)13/h1-3,8,15H,4,14H2/t8-/m1/s1
InChIKeyFCMGTYDCYSTMGU-MRVPVSSYSA-N
XLogP2.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171226723
(2S)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514953
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514954
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171234964
(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171226710
4-amino-4-[3-bromo-5-(trifluoromethyl)phenyl]butanoic acid
CID 117116026
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
ethyl 3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]propanoate
CID 130177157
methyl (3S)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171242048
(2S)-2-amino-2-[3-bromo-5-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171208293
2-bromo-1-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
CID 70189456
(2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171263130

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol (CID 66515645) is (2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol is N[C@H](CO)c1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol?
The InChIKey is FCMGTYDCYSTMGU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9BrF3NO/c10-7-2-5(8(14)4-15)1-6(3-7)9(11,12)13/h1-3,8,15H,4,14H2/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol?
(2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol has a molecular weight of 284.08 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 66515645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).