2-fluoroethyl 1-methylindole-4-carboxylate

C12H12FNO2 — CID 86768941

IUPAC2-fluoroethyl 1-methylindole-4-carboxylate
SMILESCn1ccc2c(C(=O)OCCF)cccc21
InChIInChI=1S/C12H12FNO2/c1-14-7-5-9-10(3-2-4-11(9)14)12(15)16-8-6-13/h2-5,7H,6,8H2,1H3
InChIKeyLWXYFRYJNJTAEO-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.30
Rot. Bonds3

About 2-fluoroethyl 1-methylindole-4-carboxylate

2-fluoroethyl 1-methylindole-4-carboxylate (PubChem CID 86768941) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-fluoroethyl 1-methylindole-4-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 1-methylindole-4-carboxylate
PubChem CID86768941
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name2-fluoroethyl 1-methylindole-4-carboxylate
SMILESCn1ccc2c(C(=O)OCCF)cccc21
InChIInChI=1S/C12H12FNO2/c1-14-7-5-9-10(3-2-4-11(9)14)12(15)16-8-6-13/h2-5,7H,6,8H2,1H3
InChIKeyLWXYFRYJNJTAEO-UHFFFAOYSA-N
XLogP2.30
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoroethyl 2-hydroxybenzoate
CID 158044446
[2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate
CID 154838455
ethyl 1-(3,5-difluorophenyl)indole-4-carboxylate
CID 178035431
hexyl 1-methylindole-3-carboxylate
CID 135057842
ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 71702427
methyl 2-(1-methylindol-4-yl)propanoate
CID 102374940
N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide
CID 112522704
(6,6-difluoro-5-methylhex-5-enyl) 1-methylindole-3-carboxylate
CID 23020206
1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide
CID 112530853
2-(2-hydroxyethoxy)ethyl 3-acetyl-2-acetyloxybenzoate
CID 22620908
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone
CID 71879331
(2R)-2-cyano-N-methyl-3-(1-methylindol-4-yl)-3-oxopropanamide
CID 98353290

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 1-methylindole-4-carboxylate?
The IUPAC name of 2-fluoroethyl 1-methylindole-4-carboxylate (CID 86768941) is 2-fluoroethyl 1-methylindole-4-carboxylate.
What is the SMILES notation for 2-fluoroethyl 1-methylindole-4-carboxylate?
The canonical SMILES for 2-fluoroethyl 1-methylindole-4-carboxylate is Cn1ccc2c(C(=O)OCCF)cccc21.
What is the InChIKey of 2-fluoroethyl 1-methylindole-4-carboxylate?
The InChIKey is LWXYFRYJNJTAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-14-7-5-9-10(3-2-4-11(9)14)12(15)16-8-6-13/h2-5,7H,6,8H2,1H3.
What are the key properties of 2-fluoroethyl 1-methylindole-4-carboxylate?
2-fluoroethyl 1-methylindole-4-carboxylate has a molecular weight of 221.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 1-methylindole-4-carboxylate is sourced from PubChem (CID 86768941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).