(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol

C9H11BrFNO — CID 107599492

IUPAC(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
SMILESC[C@@H](O)CNc1c(F)cccc1Br
InChIInChI=1S/C9H11BrFNO/c1-6(13)5-12-9-7(10)3-2-4-8(9)11/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1
InChIKeyFUZOWKSFWUPUPV-ZCFIWIBFSA-N
MW248.09 g/mol
LogP2.38
Rot. Bonds3

About (2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol

(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol (PubChem CID 107599492) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is (2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
PubChem CID107599492
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
SMILESC[C@@H](O)CNc1c(F)cccc1Br
InChIInChI=1S/C9H11BrFNO/c1-6(13)5-12-9-7(10)3-2-4-8(9)11/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1
InChIKeyFUZOWKSFWUPUPV-ZCFIWIBFSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-fluoro-N-(2-methoxypropyl)aniline
CID 107599525
3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile
CID 107599348
1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol
CID 107599499
2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline
CID 107598486
(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
CID 106931841
2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol
CID 107598972
2-bromo-6-fluoro-N-propan-2-ylaniline
CID 103747956
2,6-difluoro-N-(2-methylpropyl)aniline
CID 28974507
2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide
CID 113252866
2-bromo-6-fluoro-N-methylaniline
CID 21161540
3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
CID 107599328
N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide
CID 107599336

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol?
The IUPAC name of (2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol (CID 107599492) is (2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol?
The canonical SMILES for (2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol is C[C@@H](O)CNc1c(F)cccc1Br.
What is the InChIKey of (2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol?
The InChIKey is FUZOWKSFWUPUPV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-6(13)5-12-9-7(10)3-2-4-8(9)11/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol?
(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol has a molecular weight of 248.09 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol is sourced from PubChem (CID 107599492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).