(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol

C9H11BrFNO — CID 93345470

IUPAC(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol
SMILESC[C@@H](O)CNc1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFNO/c1-6(13)5-12-9-4-7(10)2-3-8(9)11/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1
InChIKeySDFJGXVOIWHOLG-ZCFIWIBFSA-N
MW248.09 g/mol
LogP2.38
Rot. Bonds3

About (2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol

(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol (PubChem CID 93345470) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is (2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol
PubChem CID93345470
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol
SMILESC[C@@H](O)CNc1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFNO/c1-6(13)5-12-9-4-7(10)2-3-8(9)11/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1
InChIKeySDFJGXVOIWHOLG-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

1-(5-bromo-2-iodoanilino)propan-2-ol
CID 130499138
1-(5-bromo-2-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 63488376
1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
CID 81307148
5-bromo-2-fluoro-N-(4-methylpentyl)aniline
CID 83157091
2-acetamido-3-(5-bromo-2-fluoroanilino)propanoic acid
CID 64582664
N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 43555732
(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol
CID 106932356
1-(2-bromo-5-chloroanilino)propan-2-ol
CID 81281043
5-bromo-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 61485154
1-(5-bromo-2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60910056
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414519
2-(5-bromo-2-fluoroanilino)acetic acid
CID 43555633

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol?
The IUPAC name of (2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol (CID 93345470) is (2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol.
What is the SMILES notation for (2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol?
The canonical SMILES for (2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol is C[C@@H](O)CNc1cc(Br)ccc1F.
What is the InChIKey of (2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol?
The InChIKey is SDFJGXVOIWHOLG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-6(13)5-12-9-4-7(10)2-3-8(9)11/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol?
(2R)-1-(5-bromo-2-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-(5-bromo-2-fluoroanilino)propan-2-ol is sourced from PubChem (CID 93345470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).