3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol

C9H11F2NO3 — CID 168594723

IUPAC3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol
SMILESOCC(O)CNc1c(F)cc(O)cc1F
InChIInChI=1S/C9H11F2NO3/c10-7-1-5(14)2-8(11)9(7)12-3-6(15)4-13/h1-2,6,12-15H,3-4H2
InChIKeyBZPXCRBABGJWKG-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.44
Rot. Bonds4

About 3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol

3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol (PubChem CID 168594723) has the molecular formula C9H11F2NO3 and a molecular weight of 219.19 g/mol. Its IUPAC name is 3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol
PubChem CID168594723
Molecular FormulaC9H11F2NO3
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol
SMILESOCC(O)CNc1c(F)cc(O)cc1F
InChIInChI=1S/C9H11F2NO3/c10-7-1-5(14)2-8(11)9(7)12-3-6(15)4-13/h1-2,6,12-15H,3-4H2
InChIKeyBZPXCRBABGJWKG-UHFFFAOYSA-N
XLogP0.44
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-[2-bromo-4-(difluoromethyl)-6-fluoroanilino]propane-1,2-diol
CID 168595660
3-(3,4,6-trifluoro-2-nitroanilino)propane-1,2-diol
CID 168594296
3-[2,4-dibromo-6-fluoro-3-(trifluoromethyl)anilino]propane-1,2-diol
CID 168597422
3-(2,6-difluoro-3-methylanilino)propane-1,2-diol
CID 82850159
N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
CID 107677052
3-(4-fluoro-3-iodoanilino)propane-1,2-diol
CID 168597274
(2S)-3-(2,4,6-tribromoanilino)propane-1,2-diol
CID 61142582
3-(2,3,5,6-tetramethylanilino)propane-1,2-diol
CID 115121873
4-[(3-chloro-2-hydroxypropyl)amino]-3-fluorophenol
CID 168636307
(2S)-3-(5-bromo-2,4-difluoroanilino)propane-1,2-diol
CID 102853500
3-(4-bromo-2-fluoroanilino)propane-1,2-diol
CID 76891707
3-(2-chloro-3,5-difluoroanilino)propane-1,2-diol
CID 168593942

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol?
The IUPAC name of 3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol (CID 168594723) is 3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol.
What is the SMILES notation for 3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol?
The canonical SMILES for 3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol is OCC(O)CNc1c(F)cc(O)cc1F.
What is the InChIKey of 3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol?
The InChIKey is BZPXCRBABGJWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3/c10-7-1-5(14)2-8(11)9(7)12-3-6(15)4-13/h1-2,6,12-15H,3-4H2.
What are the key properties of 3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol?
3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol has a molecular weight of 219.19 g/mol, XLogP of 0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol is sourced from PubChem (CID 168594723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).