3-(2,6-difluoro-3-methylanilino)propane-1,2-diol

C10H13F2NO2 — CID 82850159

IUPAC3-(2,6-difluoro-3-methylanilino)propane-1,2-diol
SMILESCc1ccc(F)c(NCC(O)CO)c1F
InChIInChI=1S/C10H13F2NO2/c1-6-2-3-8(11)10(9(6)12)13-4-7(15)5-14/h2-3,7,13-15H,4-5H2,1H3
InChIKeyYSDFKMMJLMIPTM-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.04
Rot. Bonds4

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

3-(2,6-difluoro-3-methylanilino)propane-1,2-diol (PubChem CID 82850159) has the molecular formula C10H13F2NO2 and a molecular weight of 217.21 g/mol. Its IUPAC name is 3-(2,6-difluoro-3-methylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,6-difluoro-3-methylanilino)propane-1,2-diol
PubChem CID82850159
Molecular FormulaC10H13F2NO2
Molecular Weight217.21 g/mol
Exact Mass217.09
IUPAC Name3-(2,6-difluoro-3-methylanilino)propane-1,2-diol
SMILESCc1ccc(F)c(NCC(O)CO)c1F
InChIInChI=1S/C10H13F2NO2/c1-6-2-3-8(11)10(9(6)12)13-4-7(15)5-14/h2-3,7,13-15H,4-5H2,1H3
InChIKeyYSDFKMMJLMIPTM-UHFFFAOYSA-N
XLogP1.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-difluoro-3-methylanilino)propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol
CID 82801499
1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol
CID 82818248
3-(2,3,5,6-tetramethylanilino)propane-1,2-diol
CID 115121873
2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline
CID 82816283
3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol
CID 168594723
1-(2,6-difluoro-3-methylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 82801882
3-(2-chloro-4-fluoro-3-methylanilino)propane-1,2-diol
CID 168594510
2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide
CID 168595257
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
3-(4-fluoro-3-iodoanilino)propane-1,2-diol
CID 168597274
2-[(2,6-difluoro-3-methylanilino)methyl]-2-methylbutan-1-ol
CID 82816577
2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide
CID 82817932

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-3-methylanilino)propane-1,2-diol?
The IUPAC name of 3-(2,6-difluoro-3-methylanilino)propane-1,2-diol (CID 82850159) is 3-(2,6-difluoro-3-methylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(2,6-difluoro-3-methylanilino)propane-1,2-diol?
The canonical SMILES for 3-(2,6-difluoro-3-methylanilino)propane-1,2-diol is Cc1ccc(F)c(NCC(O)CO)c1F.
What is the InChIKey of 3-(2,6-difluoro-3-methylanilino)propane-1,2-diol?
The InChIKey is YSDFKMMJLMIPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-6-2-3-8(11)10(9(6)12)13-4-7(15)5-14/h2-3,7,13-15H,4-5H2,1H3.
What are the key properties of 3-(2,6-difluoro-3-methylanilino)propane-1,2-diol?
3-(2,6-difluoro-3-methylanilino)propane-1,2-diol has a molecular weight of 217.21 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3-methylanilino)propane-1,2-diol is sourced from PubChem (CID 82850159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).