methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate

C12H14FNO2 — CID 115033850

IUPACmethyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate
SMILESCOC(=O)CC1CN(C)c2cccc(F)c21
InChIInChI=1S/C12H14FNO2/c1-14-7-8(6-11(15)16-2)12-9(13)4-3-5-10(12)14/h3-5,8H,6-7H2,1-2H3
InChIKeyLFLJUXRYTKXCLG-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.92
Rot. Bonds2

About methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate

methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate (PubChem CID 115033850) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate
PubChem CID115033850
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Namemethyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate
SMILESCOC(=O)CC1CN(C)c2cccc(F)c21
InChIInChI=1S/C12H14FNO2/c1-14-7-8(6-11(15)16-2)12-9(13)4-3-5-10(12)14/h3-5,8H,6-7H2,1-2H3
InChIKeyLFLJUXRYTKXCLG-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
CID 117199932
4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde
CID 117199903
methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate
CID 115040747
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 117199896
methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate
CID 66636862
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid
CID 82276735
1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 115106363
3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol
CID 117200414
methyl 2-[1-(2,6-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 3994011
methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate
CID 110672601
methyl 2-[1-(2-bromophenyl)-4-methylpiperazin-2-yl]acetate
CID 84607967

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate?
The IUPAC name of methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate (CID 115033850) is methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate.
What is the SMILES notation for methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate?
The canonical SMILES for methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate is COC(=O)CC1CN(C)c2cccc(F)c21.
What is the InChIKey of methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate?
The InChIKey is LFLJUXRYTKXCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-14-7-8(6-11(15)16-2)12-9(13)4-3-5-10(12)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate?
methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate has a molecular weight of 223.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate is sourced from PubChem (CID 115033850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).