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

C9H10BrF2NO — CID 106931841

IUPAC(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
SMILESC[C@H](O)CNc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H10BrF2NO/c1-5(14)4-13-9-7(10)2-6(11)3-8(9)12/h2-3,5,13-14H,4H2,1H3/t5-/m0/s1
InChIKeyMQHJMXRUQOAWNS-YFKPBYRVSA-N
MW266.09 g/mol
LogP2.52
Rot. Bonds3

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

(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol (PubChem CID 106931841) has the molecular formula C9H10BrF2NO and a molecular weight of 266.09 g/mol. Its IUPAC name is (2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
PubChem CID106931841
Molecular FormulaC9H10BrF2NO
Molecular Weight266.09 g/mol
Exact Mass264.99
IUPAC Name(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
SMILESC[C@H](O)CNc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H10BrF2NO/c1-5(14)4-13-9-7(10)2-6(11)3-8(9)12/h2-3,5,13-14H,4H2,1H3/t5-/m0/s1
InChIKeyMQHJMXRUQOAWNS-YFKPBYRVSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60900638
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
CID 107599492
1-(2-bromo-4,6-difluoroanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900257
2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 60901393
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257
2-(2-bromo-4,6-difluoroanilino)acetonitrile
CID 43168321
2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide
CID 43168324
N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525080
2-bromo-4,6-difluoro-N-(3-methylbut-3-enyl)aniline
CID 114472022
1-(3,5-difluoroanilino)propan-2-ol
CID 60886197
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol?
The IUPAC name of (2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol (CID 106931841) is (2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol?
The canonical SMILES for (2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol is C[C@H](O)CNc1c(F)cc(F)cc1Br.
What is the InChIKey of (2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol?
The InChIKey is MQHJMXRUQOAWNS-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10BrF2NO/c1-5(14)4-13-9-7(10)2-6(11)3-8(9)12/h2-3,5,13-14H,4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol?
(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol has a molecular weight of 266.09 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol is sourced from PubChem (CID 106931841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).