3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol

C11H12Cl2F3NO2 — CID 168597183

IUPAC3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol
SMILESCc1c(C(F)(F)F)cc(Cl)c(Cl)c1NCC(O)CO
InChIInChI=1S/C11H12Cl2F3NO2/c1-5-7(11(14,15)16)2-8(12)9(13)10(5)17-3-6(19)4-18/h2,6,17-19H,3-4H2,1H3
InChIKeyOFNLQZVCOZHJNV-UHFFFAOYSA-N
MW318.12 g/mol
LogP3.09
Rot. Bonds4

About 3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol

3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol (PubChem CID 168597183) has the molecular formula C11H12Cl2F3NO2 and a molecular weight of 318.12 g/mol. Its IUPAC name is 3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol
PubChem CID168597183
Molecular FormulaC11H12Cl2F3NO2
Molecular Weight318.12 g/mol
Exact Mass317.02
IUPAC Name3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol
SMILESCc1c(C(F)(F)F)cc(Cl)c(Cl)c1NCC(O)CO
InChIInChI=1S/C11H12Cl2F3NO2/c1-5-7(11(14,15)16)2-8(12)9(13)10(5)17-3-6(19)4-18/h2,6,17-19H,3-4H2,1H3
InChIKeyOFNLQZVCOZHJNV-UHFFFAOYSA-N
XLogP3.09
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.12
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 168637700
3-(2,3,5,6-tetramethylanilino)propane-1,2-diol
CID 115121873
3-[5-methyl-2-(trifluoromethyl)anilino]propane-1,2-diol
CID 168593240
3-[2-bromo-4,5-bis(trifluoromethyl)anilino]propane-1,2-diol
CID 168595054
1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol
CID 168640694
3-(2-chloro-4-fluoro-3-methylanilino)propane-1,2-diol
CID 168594510
3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol
CID 168593328
3-[4-propan-2-yloxy-3-(trifluoromethyl)anilino]propane-1,2-diol
CID 168593176
3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol
CID 168596588
3-[2,4-dibromo-6-fluoro-3-(trifluoromethyl)anilino]propane-1,2-diol
CID 168597422
3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol
CID 168594723
3-(4-bromo-2-chloro-3-methylanilino)propane-1,2-diol
CID 168596172

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol?
The IUPAC name of 3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol (CID 168597183) is 3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol?
The canonical SMILES for 3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol is Cc1c(C(F)(F)F)cc(Cl)c(Cl)c1NCC(O)CO.
What is the InChIKey of 3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol?
The InChIKey is OFNLQZVCOZHJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F3NO2/c1-5-7(11(14,15)16)2-8(12)9(13)10(5)17-3-6(19)4-18/h2,6,17-19H,3-4H2,1H3.
What are the key properties of 3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol?
3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol has a molecular weight of 318.12 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propane-1,2-diol is sourced from PubChem (CID 168597183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).