3-(4-bromo-2-fluoroanilino)propane-1,2-diol

C9H11BrFNO2 — CID 76891707

IUPAC3-(4-bromo-2-fluoroanilino)propane-1,2-diol
SMILESOCC(O)CNc1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNO2/c10-6-1-2-9(8(11)3-6)12-4-7(14)5-13/h1-3,7,12-14H,4-5H2
InChIKeyUNHIJOSGLPNCOI-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.35
Rot. Bonds4

About 3-(4-bromo-2-fluoroanilino)propane-1,2-diol

3-(4-bromo-2-fluoroanilino)propane-1,2-diol (PubChem CID 76891707) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 3-(4-bromo-2-fluoroanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-bromo-2-fluoroanilino)propane-1,2-diol
PubChem CID76891707
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name3-(4-bromo-2-fluoroanilino)propane-1,2-diol
SMILESOCC(O)CNc1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNO2/c10-6-1-2-9(8(11)3-6)12-4-7(14)5-13/h1-3,7,12-14H,4-5H2
InChIKeyUNHIJOSGLPNCOI-UHFFFAOYSA-N
XLogP1.35
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dibromoanilino)propane-1,2-diol
CID 76904670
1-(4-bromo-2-fluoroanilino)-3-propan-2-yloxypropan-2-ol
CID 60897126
(2S)-3-(5-bromo-2,4-difluoroanilino)propane-1,2-diol
CID 102853500
(2S)-3-(4-bromo-2-ethylanilino)propane-1,2-diol
CID 81292963
3-(4-ethynyl-2-fluoroanilino)propane-1,2-diol
CID 168594947
1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60897310
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol
CID 82963254
2-(4-bromo-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60898079
2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol
CID 63488275
4-bromo-2-fluoro-N-(2-methylpentyl)aniline
CID 43102033
3-[2-bromo-4-(trifluoromethylsulfanyl)anilino]propane-1,2-diol
CID 168596436
3-(5-bromo-2-ethoxyanilino)propane-1,2-diol
CID 168596387

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluoroanilino)propane-1,2-diol?
The IUPAC name of 3-(4-bromo-2-fluoroanilino)propane-1,2-diol (CID 76891707) is 3-(4-bromo-2-fluoroanilino)propane-1,2-diol.
What is the SMILES notation for 3-(4-bromo-2-fluoroanilino)propane-1,2-diol?
The canonical SMILES for 3-(4-bromo-2-fluoroanilino)propane-1,2-diol is OCC(O)CNc1ccc(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2-fluoroanilino)propane-1,2-diol?
The InChIKey is UNHIJOSGLPNCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c10-6-1-2-9(8(11)3-6)12-4-7(14)5-13/h1-3,7,12-14H,4-5H2.
What are the key properties of 3-(4-bromo-2-fluoroanilino)propane-1,2-diol?
3-(4-bromo-2-fluoroanilino)propane-1,2-diol has a molecular weight of 264.09 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluoroanilino)propane-1,2-diol is sourced from PubChem (CID 76891707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).