(2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol

C8H6BrF4NO — CID 66515715

IUPAC(2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol
SMILESN[C@H](CO)c1c(F)c(F)c(F)c(Br)c1F
InChIInChI=1S/C8H6BrF4NO/c9-4-5(10)3(2(14)1-15)6(11)8(13)7(4)12/h2,15H,1,14H2/t2-/m1/s1
InChIKeyUVILGKWIPYKSHD-UWTATZPHSA-N
MW288.04 g/mol
LogP2.00
Rot. Bonds2

About (2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol

(2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol (PubChem CID 66515715) has the molecular formula C8H6BrF4NO and a molecular weight of 288.04 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol
PubChem CID66515715
Molecular FormulaC8H6BrF4NO
Molecular Weight288.04 g/mol
Exact Mass286.96
IUPAC Name(2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol
SMILESN[C@H](CO)c1c(F)c(F)c(F)c(Br)c1F
InChIInChI=1S/C8H6BrF4NO/c9-4-5(10)3(2(14)1-15)6(11)8(13)7(4)12/h2,15H,1,14H2/t2-/m1/s1
InChIKeyUVILGKWIPYKSHD-UWTATZPHSA-N
XLogP2.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.04
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-(2,3,4,5,6-pentafluorophenyl)ethanol;hydrochloride
CID 171210325
(1S)-1-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanamine
CID 130664379
(3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol
CID 131334834
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
(1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine
CID 66512670
2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol
CID 117324265
CID 87457293
CID 87457293
2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol
CID 83895873
2-(4-bromo-2,3,5,6-tetrafluorophenyl)propan-1-amine
CID 115113262
(3R)-3-amino-2,2-difluoro-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol
CID 171243144
(1S)-3-fluoro-1-(2,3,4,5,6-pentafluorophenyl)propan-1-amine
CID 131454154
3-amino-2-(4-bromo-2,3,5,6-tetrafluorophenyl)propanoic acid
CID 117116283

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol (CID 66515715) is (2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol is N[C@H](CO)c1c(F)c(F)c(F)c(Br)c1F.
What is the InChIKey of (2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol?
The InChIKey is UVILGKWIPYKSHD-UWTATZPHSA-N. The full InChI is InChI=1S/C8H6BrF4NO/c9-4-5(10)3(2(14)1-15)6(11)8(13)7(4)12/h2,15H,1,14H2/t2-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol?
(2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol has a molecular weight of 288.04 g/mol, XLogP of 2.00, 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-2,4,5,6-tetrafluorophenyl)ethanol is sourced from PubChem (CID 66515715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).