methyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate

C16H16FNO3 — CID 103912426

IUPACmethyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N2CCc3ccc(F)cc32)o1
InChIInChI=1S/C16H16FNO3/c1-10(14-5-6-15(21-14)16(19)20-2)18-8-7-11-3-4-12(17)9-13(11)18/h3-6,9-10H,7-8H2,1-2H3
InChIKeyCPYOGHTXPREUFR-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.33
Rot. Bonds3

About methyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate

methyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate (PubChem CID 103912426) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is methyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate
PubChem CID103912426
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Namemethyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N2CCc3ccc(F)cc32)o1
InChIInChI=1S/C16H16FNO3/c1-10(14-5-6-15(21-14)16(19)20-2)18-8-7-11-3-4-12(17)9-13(11)18/h3-6,9-10H,7-8H2,1-2H3
InChIKeyCPYOGHTXPREUFR-UHFFFAOYSA-N
XLogP3.33
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103827394
methyl 5-[1-(2-bromo-4-fluoroanilino)ethyl]furan-2-carboxylate
CID 103236382
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbutanoic acid
CID 103498081
4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol
CID 103504800
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
methyl 5-[1-(2-bromo-5-fluoroanilino)ethyl]furan-2-carboxylate
CID 107636665
methyl 5-[1-(4,4-dimethylazepan-1-yl)ethyl]furan-2-carboxylate
CID 79006384
3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103494512
methyl 5-[(1R)-1-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]ethyl]furan-2-carboxylate
CID 97333304
[(1S)-1-(5-methoxycarbonylfuran-2-yl)ethyl]-trimethylazanium
CID 919267
methyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate
CID 112726879
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate (CID 103912426) is methyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)N2CCc3ccc(F)cc32)o1.
What is the InChIKey of methyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate?
The InChIKey is CPYOGHTXPREUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-10(14-5-6-15(21-14)16(19)20-2)18-8-7-11-3-4-12(17)9-13(11)18/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of methyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate?
methyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate has a molecular weight of 289.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate is sourced from PubChem (CID 103912426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).