(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol

C9H10BrF2NO — CID 130722751

IUPAC(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol
SMILESCC(O)[C@@H](N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C9H10BrF2NO/c1-4(14)9(13)8-6(11)2-5(10)3-7(8)12/h2-4,9,14H,13H2,1H3/t4?,9-/m1/s1
InChIKeyMFAKSCMQXMQSKT-KISVTORNSA-N
MW266.09 g/mol
LogP2.11
Rot. Bonds2

About (1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol

(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol (PubChem CID 130722751) has the molecular formula C9H10BrF2NO and a molecular weight of 266.09 g/mol. Its IUPAC name is (1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol
PubChem CID130722751
Molecular FormulaC9H10BrF2NO
Molecular Weight266.09 g/mol
Exact Mass264.99
IUPAC Name(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol
SMILESCC(O)[C@@H](N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C9H10BrF2NO/c1-4(14)9(13)8-6(11)2-5(10)3-7(8)12/h2-4,9,14H,13H2,1H3/t4?,9-/m1/s1
InChIKeyMFAKSCMQXMQSKT-KISVTORNSA-N
XLogP2.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride
CID 171268660
1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine
CID 83402968
1-(4-bromo-2,6-difluorophenyl)ethanamine
CID 67403497
(1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol
CID 171263004
(1R,2S)-1-amino-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol
CID 131565436
(1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol
CID 55272818
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
(1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol
CID 171268665
(1S,2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171262994
(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
CID 130636781
(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
CID 130612106
(1R,2S)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 130641514

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol?
The IUPAC name of (1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol (CID 130722751) is (1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol?
The canonical SMILES for (1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol is CC(O)[C@@H](N)c1c(F)cc(Br)cc1F.
What is the InChIKey of (1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol?
The InChIKey is MFAKSCMQXMQSKT-KISVTORNSA-N. The full InChI is InChI=1S/C9H10BrF2NO/c1-4(14)9(13)8-6(11)2-5(10)3-7(8)12/h2-4,9,14H,13H2,1H3/t4?,9-/m1/s1.
What are the key properties of (1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol?
(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol has a molecular weight of 266.09 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol is sourced from PubChem (CID 130722751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).