2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol

C8H8BrClFNO — CID 117424956

IUPAC2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol
SMILESNC(CO)c1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C8H8BrClFNO/c9-5-1-4(7(12)3-13)2-6(10)8(5)11/h1-2,7,13H,3,12H2
InChIKeyJGPCZRWXAATUFA-UHFFFAOYSA-N
MW268.51 g/mol
LogP2.23
Rot. Bonds2

About 2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol

2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol (PubChem CID 117424956) has the molecular formula C8H8BrClFNO and a molecular weight of 268.51 g/mol. Its IUPAC name is 2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol
PubChem CID117424956
Molecular FormulaC8H8BrClFNO
Molecular Weight268.51 g/mol
Exact Mass266.95
IUPAC Name2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol
SMILESNC(CO)c1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C8H8BrClFNO/c9-5-1-4(7(12)3-13)2-6(10)8(5)11/h1-2,7,13H,3,12H2
InChIKeyJGPCZRWXAATUFA-UHFFFAOYSA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol
CID 117310399
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)acetic acid
CID 117454067
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
2-amino-2-(5-bromo-2-chloro-4-fluorophenyl)ethanol
CID 84712247
(2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171225420
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
2-amino-2-(3,4-dibromophenyl)ethanol
CID 77130608
(2R)-2-amino-2-(3,4-dibromophenyl)ethanol
CID 66515811
(2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol
CID 66516252
2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol
CID 117324265

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol?
The IUPAC name of 2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol (CID 117424956) is 2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol is NC(CO)c1cc(Cl)c(F)c(Br)c1.
What is the InChIKey of 2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol?
The InChIKey is JGPCZRWXAATUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFNO/c9-5-1-4(7(12)3-13)2-6(10)8(5)11/h1-2,7,13H,3,12H2.
What are the key properties of 2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol?
2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol has a molecular weight of 268.51 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol is sourced from PubChem (CID 117424956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).