fluoro indole-1-carboxylate

C9H6FNO2 — CID 129249849

IUPACfluoro indole-1-carboxylate
SMILESO=C(OF)n1ccc2ccccc21
InChIInChI=1S/C9H6FNO2/c10-13-9(12)11-6-5-7-3-1-2-4-8(7)11/h1-6H
InChIKeyYFVZZCCZTZBONL-UHFFFAOYSA-N
MW179.15 g/mol
LogP2.51
Rot. Bonds

About fluoro indole-1-carboxylate

fluoro indole-1-carboxylate (PubChem CID 129249849) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is fluoro indole-1-carboxylate.

Molecular Properties

Compound Namefluoro indole-1-carboxylate
PubChem CID129249849
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Namefluoro indole-1-carboxylate
SMILESO=C(OF)n1ccc2ccccc21
InChIInChI=1S/C9H6FNO2/c10-13-9(12)11-6-5-7-3-1-2-4-8(7)11/h1-6H
InChIKeyYFVZZCCZTZBONL-UHFFFAOYSA-N
XLogP2.51
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-indol-1-ylethanone;hydrochloride
CID 21333501
[dichloro(phenyl)methyl] indole-1-carboxylate
CID 173362473
3-phenylpropyl indole-1-carboxylate
CID 86239500
2,2-dichloro-1-indol-1-ylethanone
CID 15325054
1-indol-1-yl-2-methylpropan-1-one
CID 12637473
N-(2-fluoroethyl)indole-1-carboxamide
CID 141052134
(E)-4-indol-1-yl-4-oxobut-2-enoic acid
CID 1201177
1-indol-1-yl-2-phenylethanone
CID 118536016
4-indol-1-yl-N-methyl-4-oxobutanamide
CID 84556822
indol-1-yl-(2-methoxyphenyl)methanone
CID 39846486
indol-1-yl-(4-methylphenyl)methanone
CID 10955526
4-indol-1-yl-4-oxobutanamide
CID 84553197

Frequently Asked Questions

What is the IUPAC name of fluoro indole-1-carboxylate?
The IUPAC name of fluoro indole-1-carboxylate (CID 129249849) is fluoro indole-1-carboxylate.
What is the SMILES notation for fluoro indole-1-carboxylate?
The canonical SMILES for fluoro indole-1-carboxylate is O=C(OF)n1ccc2ccccc21.
What is the InChIKey of fluoro indole-1-carboxylate?
The InChIKey is YFVZZCCZTZBONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c10-13-9(12)11-6-5-7-3-1-2-4-8(7)11/h1-6H.
What are the key properties of fluoro indole-1-carboxylate?
fluoro indole-1-carboxylate has a molecular weight of 179.15 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro indole-1-carboxylate is sourced from PubChem (CID 129249849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).