3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol

C11H15F2NO3 — CID 168593831

IUPAC3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol
SMILESCOc1cc(NCC(O)CO)c(F)c(F)c1C
InChIInChI=1S/C11H15F2NO3/c1-6-9(17-2)3-8(11(13)10(6)12)14-4-7(16)5-15/h3,7,14-16H,4-5H2,1-2H3
InChIKeyGENROADWNHFCEE-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.05
Rot. Bonds5

About 3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol

3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol (PubChem CID 168593831) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is 3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol
PubChem CID168593831
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Name3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol
SMILESCOc1cc(NCC(O)CO)c(F)c(F)c1C
InChIInChI=1S/C11H15F2NO3/c1-6-9(17-2)3-8(11(13)10(6)12)14-4-7(16)5-15/h3,7,14-16H,4-5H2,1-2H3
InChIKeyGENROADWNHFCEE-UHFFFAOYSA-N
XLogP1.05
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-difluoro-4-methoxyanilino)propane-1,2-diol
CID 115121931
3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol
CID 168596588
2-(2,3-dihydroxypropylamino)-4,5-dimethoxybenzamide
CID 168595303
1-[4-(2,3-dihydroxypropylamino)-3-methoxyphenyl]ethanone
CID 168597111
methyl 3-(2,3-dihydroxypropylamino)-6-fluoro-2-methylbenzoate
CID 168594543
3-(4-bromo-2-methoxy-3-methylanilino)propane-1,2-diol
CID 168597062
methyl 4-(2,3-dihydroxypropylamino)-5-ethylsulfonyl-2-methoxybenzoate
CID 168593933
methyl 3-(2,3-dihydroxypropylamino)-5-fluoro-4-methoxybenzoate
CID 168594828
3-(2-chloro-4-fluoro-3-methylanilino)propane-1,2-diol
CID 168594510
3-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]propane-1,2-diol
CID 66176537
3-[5-methyl-2-(trifluoromethyl)anilino]propane-1,2-diol
CID 168593240
3-(2,3,5,6-tetramethylanilino)propane-1,2-diol
CID 115121873

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol?
The IUPAC name of 3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol (CID 168593831) is 3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol?
The canonical SMILES for 3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol is COc1cc(NCC(O)CO)c(F)c(F)c1C.
What is the InChIKey of 3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol?
The InChIKey is GENROADWNHFCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3/c1-6-9(17-2)3-8(11(13)10(6)12)14-4-7(16)5-15/h3,7,14-16H,4-5H2,1-2H3.
What are the key properties of 3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol?
3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol has a molecular weight of 247.24 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol is sourced from PubChem (CID 168593831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).