ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate

C12H14FNO2 — CID 155893825

IUPACethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate
SMILESCCOC(=O)CC1CNc2c(F)cccc21
InChIInChI=1S/C12H14FNO2/c1-2-16-11(15)6-8-7-14-12-9(8)4-3-5-10(12)13/h3-5,8,14H,2,6-7H2,1H3
InChIKeyCTJROVUVUGDRPO-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.29
Rot. Bonds3

About ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate

ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate (PubChem CID 155893825) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate
PubChem CID155893825
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Nameethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate
SMILESCCOC(=O)CC1CNc2c(F)cccc21
InChIInChI=1S/C12H14FNO2/c1-2-16-11(15)6-8-7-14-12-9(8)4-3-5-10(12)13/h3-5,8,14H,2,6-7H2,1H3
InChIKeyCTJROVUVUGDRPO-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 86641632
methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate
CID 115050329
propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 79600080
ethyl 2-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)acetate
CID 165145944
ethyl 3-amino-3-(2,6-difluorophenyl)propanoate
CID 43147915
3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole
CID 106986001
ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate
CID 23549532
ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate
CID 70913003
ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate
CID 19081469
ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
CID 129387633
(7-methyl-2,3-dihydro-1H-indol-3-yl)methanol
CID 82277392
ethyl 2-(1,3,4,5-tetrahydro-2-benzoxepin-5-yl)acetate
CID 165145663

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate?
The IUPAC name of ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate (CID 155893825) is ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate?
The canonical SMILES for ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate is CCOC(=O)CC1CNc2c(F)cccc21.
What is the InChIKey of ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate?
The InChIKey is CTJROVUVUGDRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-2-16-11(15)6-8-7-14-12-9(8)4-3-5-10(12)13/h3-5,8,14H,2,6-7H2,1H3.
What are the key properties of ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate?
ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate has a molecular weight of 223.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate is sourced from PubChem (CID 155893825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).