methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate

C11H7ClF3NO2 — CID 141445406

IUPACmethyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)[nH]c2c(Cl)cccc12
InChIInChI=1S/C11H7ClF3NO2/c1-18-10(17)7-5-3-2-4-6(12)8(5)16-9(7)11(13,14)15/h2-4,16H,1H3
InChIKeyMWGYXKYLLXHZAJ-UHFFFAOYSA-N
MW277.63 g/mol
LogP3.63
Rot. Bonds1

About methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate

methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate (PubChem CID 141445406) has the molecular formula C11H7ClF3NO2 and a molecular weight of 277.63 g/mol. Its IUPAC name is methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate
PubChem CID141445406
Molecular FormulaC11H7ClF3NO2
Molecular Weight277.63 g/mol
Exact Mass277.01
IUPAC Namemethyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)[nH]c2c(Cl)cccc12
InChIInChI=1S/C11H7ClF3NO2/c1-18-10(17)7-5-3-2-4-6(12)8(5)16-9(7)11(13,14)15/h2-4,16H,1H3
InChIKeyMWGYXKYLLXHZAJ-UHFFFAOYSA-N
XLogP3.63
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.63
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate?
The IUPAC name of methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate (CID 141445406) is methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate?
The canonical SMILES for methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate is COC(=O)c1c(C(F)(F)F)[nH]c2c(Cl)cccc12.
What is the InChIKey of methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate?
The InChIKey is MWGYXKYLLXHZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO2/c1-18-10(17)7-5-3-2-4-6(12)8(5)16-9(7)11(13,14)15/h2-4,16H,1H3.
What are the key properties of methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate?
methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate has a molecular weight of 277.63 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate is sourced from PubChem (CID 141445406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).