5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid

C16H13F2NO2 — CID 103503739

IUPAC5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid
SMILESO=C(O)c1cc(F)ccc1CN1CCc2ccc(F)cc21
InChIInChI=1S/C16H13F2NO2/c17-12-4-2-11(14(7-12)16(20)21)9-19-6-5-10-1-3-13(18)8-15(10)19/h1-4,7-8H,5-6,9H2,(H,20,21)
InChIKeyCXBVJCXRPRVXGJ-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.23
Rot. Bonds3

About 5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid

5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid (PubChem CID 103503739) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is 5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid
PubChem CID103503739
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid
SMILESO=C(O)c1cc(F)ccc1CN1CCc2ccc(F)cc21
InChIInChI=1S/C16H13F2NO2/c17-12-4-2-11(14(7-12)16(20)21)9-19-6-5-10-1-3-13(18)8-15(10)19/h1-4,7-8H,5-6,9H2,(H,20,21)
InChIKeyCXBVJCXRPRVXGJ-UHFFFAOYSA-N
XLogP3.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
CID 103494091
3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide
CID 103503781
2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluorobenzoic acid
CID 63289404
5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 103498030
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
(E)-3-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]prop-2-enoic acid
CID 103501685
1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501587
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379
4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103497755
4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
CID 103504365
N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine
CID 103503085

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid?
The IUPAC name of 5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid (CID 103503739) is 5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid is O=C(O)c1cc(F)ccc1CN1CCc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid?
The InChIKey is CXBVJCXRPRVXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-12-4-2-11(14(7-12)16(20)21)9-19-6-5-10-1-3-13(18)8-15(10)19/h1-4,7-8H,5-6,9H2,(H,20,21).
What are the key properties of 5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid?
5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid has a molecular weight of 289.28 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid is sourced from PubChem (CID 103503739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).