methyl 2-(trifluoromethyl)-1H-indole-6-carboxylate

C11H8F3NO2 — CID 73425268

IUPACmethyl 2-(trifluoromethyl)-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2cc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C11H8F3NO2/c1-17-10(16)7-3-2-6-5-9(11(12,13)14)15-8(6)4-7/h2-5,15H,1H3
InChIKeyLSEQWDAVCLFBCJ-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.97
Rot. Bonds1

About methyl 2-(trifluoromethyl)-1H-indole-6-carboxylate

methyl 2-(trifluoromethyl)-1H-indole-6-carboxylate (PubChem CID 73425268) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is methyl 2-(trifluoromethyl)-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(trifluoromethyl)-1H-indole-6-carboxylate
PubChem CID73425268
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Namemethyl 2-(trifluoromethyl)-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2cc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C11H8F3NO2/c1-17-10(16)7-3-2-6-5-9(11(12,13)14)15-8(6)4-7/h2-5,15H,1H3
InChIKeyLSEQWDAVCLFBCJ-UHFFFAOYSA-N
XLogP2.97
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate
CID 22627278
methanesulfonic acid;methyl 1H-indole-6-carboxylate
CID 174921301
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 4-methoxy-3-(trifluoromethyl)benzoate
CID 19360538
CID 145169423
CID 145169423
methyl 2-chloro-1H-indole-5-carboxylate
CID 139461467
ethanesulfonic acid;methyl 1H-indole-6-carboxylate
CID 175802798
2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid
CID 117195778
methyl 3-phenyl-4-(trifluoromethyl)benzoate
CID 11044155
methyl 1H-indole-5-carboxylate;pyridine
CID 175088239
methyl 2-cyano-1H-indole-5-carboxylate
CID 129095297

Frequently Asked Questions

What is the IUPAC name of methyl 2-(trifluoromethyl)-1H-indole-6-carboxylate?
The IUPAC name of methyl 2-(trifluoromethyl)-1H-indole-6-carboxylate (CID 73425268) is methyl 2-(trifluoromethyl)-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 2-(trifluoromethyl)-1H-indole-6-carboxylate?
The canonical SMILES for methyl 2-(trifluoromethyl)-1H-indole-6-carboxylate is COC(=O)c1ccc2cc(C(F)(F)F)[nH]c2c1.
What is the InChIKey of methyl 2-(trifluoromethyl)-1H-indole-6-carboxylate?
The InChIKey is LSEQWDAVCLFBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c1-17-10(16)7-3-2-6-5-9(11(12,13)14)15-8(6)4-7/h2-5,15H,1H3.
What are the key properties of methyl 2-(trifluoromethyl)-1H-indole-6-carboxylate?
methyl 2-(trifluoromethyl)-1H-indole-6-carboxylate has a molecular weight of 243.18 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(trifluoromethyl)-1H-indole-6-carboxylate is sourced from PubChem (CID 73425268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).