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

C15H14FNO3 — CID 103498030

IUPAC5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CN2CCc3ccc(F)cc32)oc1C(=O)O
InChIInChI=1S/C15H14FNO3/c1-9-6-12(20-14(9)15(18)19)8-17-5-4-10-2-3-11(16)7-13(10)17/h2-3,6-7H,4-5,8H2,1H3,(H,18,19)
InChIKeyFPMPBRNWTZYIQN-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.99
Rot. Bonds3

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

5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 103498030) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
PubChem CID103498030
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CN2CCc3ccc(F)cc32)oc1C(=O)O
InChIInChI=1S/C15H14FNO3/c1-9-6-12(20-14(9)15(18)19)8-17-5-4-10-2-3-11(16)7-13(10)17/h2-3,6-7H,4-5,8H2,1H3,(H,18,19)
InChIKeyFPMPBRNWTZYIQN-UHFFFAOYSA-N
XLogP2.99
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid
CID 103503739
3-methyl-5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]furan-2-carboxylic acid
CID 63778942
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141
3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid
CID 43621049
(E)-3-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]prop-2-enoic acid
CID 103501685
1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 103503080
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide
CID 103503781
2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 103501934
N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine
CID 107557641

Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-methylfuran-2-carboxylic acid (CID 103498030) is 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-methylfuran-2-carboxylic acid is Cc1cc(CN2CCc3ccc(F)cc32)oc1C(=O)O.
What is the InChIKey of 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is FPMPBRNWTZYIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9-6-12(20-14(9)15(18)19)8-17-5-4-10-2-3-11(16)7-13(10)17/h2-3,6-7H,4-5,8H2,1H3,(H,18,19).
What are the key properties of 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 103498030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).