methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate

C10H6F6O3 — CID 134639096

IUPACmethyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate
SMILESCOC(=O)c1c(C(F)(F)F)cc(O)cc1C(F)(F)F
InChIInChI=1S/C10H6F6O3/c1-19-8(18)7-5(9(11,12)13)2-4(17)3-6(7)10(14,15)16/h2-3,17H,1H3
InChIKeyCEEFDNWLCVIUJH-UHFFFAOYSA-N
MW288.14 g/mol
LogP3.22
Rot. Bonds1

About methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate

methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate (PubChem CID 134639096) has the molecular formula C10H6F6O3 and a molecular weight of 288.14 g/mol. Its IUPAC name is methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate
PubChem CID134639096
Molecular FormulaC10H6F6O3
Molecular Weight288.14 g/mol
Exact Mass288.02
IUPAC Namemethyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate
SMILESCOC(=O)c1c(C(F)(F)F)cc(O)cc1C(F)(F)F
InChIInChI=1S/C10H6F6O3/c1-19-8(18)7-5(9(11,12)13)2-4(17)3-6(7)10(14,15)16/h2-3,17H,1H3
InChIKeyCEEFDNWLCVIUJH-UHFFFAOYSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methoxy-2,6-bis(trifluoromethyl)benzoate
CID 15370697
methyl 4-(1-oxo-1λ5-phospholan-1-yl)-2,6-bis(trifluoromethyl)benzoate
CID 90431498
1-[2-(difluoromethyl)-4-hydroxy-6-(trifluoromethyl)phenyl]ethanone
CID 171032599
methyl 2,6-difluoro-3-methyl-4-(trifluoromethyl)benzoate
CID 154645474
methyl 2-cyano-4-sulfanyl-6-(trifluoromethyl)benzoate
CID 134647850
methyl 6-oxo-2-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134666243
methyl 2-methylsulfanyl-6-(trifluoromethyl)benzoate
CID 91880964
methyl 2,4-bis(trifluoromethyl)-6-trimethylsilyloxypyridine-3-carboxylate
CID 10406262
methyl 2,4,6-tritert-butylbenzoate
CID 5059268
methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate
CID 162581639
methyl 4-fluoro-5-hydroxy-2-(trifluoromethyl)benzoate
CID 131318354
methyl 2-bromo-6-(trifluoromethyl)benzoate
CID 46311085

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate?
The IUPAC name of methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate (CID 134639096) is methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate.
What is the SMILES notation for methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate?
The canonical SMILES for methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate is COC(=O)c1c(C(F)(F)F)cc(O)cc1C(F)(F)F.
What is the InChIKey of methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate?
The InChIKey is CEEFDNWLCVIUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O3/c1-19-8(18)7-5(9(11,12)13)2-4(17)3-6(7)10(14,15)16/h2-3,17H,1H3.
What are the key properties of methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate?
methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate has a molecular weight of 288.14 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate is sourced from PubChem (CID 134639096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).