(2-fluorophenyl)methyl 1H-indole-3-carboxylate

C16H12FNO2 — CID 7492710

IUPAC(2-fluorophenyl)methyl 1H-indole-3-carboxylate
SMILESO=C(OCc1ccccc1F)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12FNO2/c17-14-7-3-1-5-11(14)10-20-16(19)13-9-18-15-8-4-2-6-12(13)15/h1-9,18H,10H2
InChIKeyXIXWPGDYIRBHLG-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.66
Rot. Bonds3

About (2-fluorophenyl)methyl 1H-indole-3-carboxylate

(2-fluorophenyl)methyl 1H-indole-3-carboxylate (PubChem CID 7492710) has the molecular formula C16H12FNO2 and a molecular weight of 269.27 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 1H-indole-3-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 1H-indole-3-carboxylate
PubChem CID7492710
Molecular FormulaC16H12FNO2
Molecular Weight269.27 g/mol
Exact Mass269.09
IUPAC Name(2-fluorophenyl)methyl 1H-indole-3-carboxylate
SMILESO=C(OCc1ccccc1F)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12FNO2/c17-14-7-3-1-5-11(14)10-20-16(19)13-9-18-15-8-4-2-6-12(13)15/h1-9,18H,10H2
InChIKeyXIXWPGDYIRBHLG-UHFFFAOYSA-N
XLogP3.66
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)methyl 2-(1H-indol-3-yl)acetate
CID 7665649
2-(2-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339237
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
(2,5-dimethoxyphenyl)methyl 1H-indole-3-carboxylate
CID 8644175
[2-(1H-indol-3-yl)-2-oxoethyl] 2,6-difluorobenzoate
CID 2689663
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 8661248
(1,3-dioxoisoindol-2-yl)methyl 1H-indole-3-carboxylate
CID 7517850
ethyl 6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
CID 118578466
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2453233
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 1H-indole-3-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 1H-indole-3-carboxylate (CID 7492710) is (2-fluorophenyl)methyl 1H-indole-3-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 1H-indole-3-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 1H-indole-3-carboxylate is O=C(OCc1ccccc1F)c1c[nH]c2ccccc12.
What is the InChIKey of (2-fluorophenyl)methyl 1H-indole-3-carboxylate?
The InChIKey is XIXWPGDYIRBHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-14-7-3-1-5-11(14)10-20-16(19)13-9-18-15-8-4-2-6-12(13)15/h1-9,18H,10H2.
What are the key properties of (2-fluorophenyl)methyl 1H-indole-3-carboxylate?
(2-fluorophenyl)methyl 1H-indole-3-carboxylate has a molecular weight of 269.27 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 1H-indole-3-carboxylate is sourced from PubChem (CID 7492710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).