1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol

C10H12F2O3 — CID 170819048

IUPAC1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol
SMILESCc1ccc(F)c(C(O)C(O)CO)c1F
InChIInChI=1S/C10H12F2O3/c1-5-2-3-6(11)8(9(5)12)10(15)7(14)4-13/h2-3,7,10,13-15H,4H2,1H3
InChIKeyIQYDZERWNWWHFB-UHFFFAOYSA-N
MW218.20 g/mol
LogP0.66
Rot. Bonds3

About 1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol

1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol (PubChem CID 170819048) has the molecular formula C10H12F2O3 and a molecular weight of 218.20 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol
PubChem CID170819048
Molecular FormulaC10H12F2O3
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol
SMILESCc1ccc(F)c(C(O)C(O)CO)c1F
InChIInChI=1S/C10H12F2O3/c1-5-2-3-6(11)8(9(5)12)10(15)7(14)4-13/h2-3,7,10,13-15H,4H2,1H3
InChIKeyIQYDZERWNWWHFB-UHFFFAOYSA-N
XLogP0.66
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol
CID 170817924
1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575615
(2S)-2-amino-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209975
1-(2,6-difluoro-3-methylphenyl)-2,2-diethoxyethanol
CID 82822285
1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol
CID 115836226
1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol
CID 115789411
(2,6-difluoro-3-methylphenyl)-(2,6-difluorophenyl)methanol
CID 82820156
(1R,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)-5-methylhexan-2-ol
CID 171264115
1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol
CID 115814951
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol
CID 115817481
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol (CID 170819048) is 1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol is Cc1ccc(F)c(C(O)C(O)CO)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol?
The InChIKey is IQYDZERWNWWHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O3/c1-5-2-3-6(11)8(9(5)12)10(15)7(14)4-13/h2-3,7,10,13-15H,4H2,1H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol?
1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol has a molecular weight of 218.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol is sourced from PubChem (CID 170819048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).