ethyl 2-fluoro-2-(2-methylindol-1-yl)acetate

C13H14FNO2 — CID 81297133

IUPACethyl 2-fluoro-2-(2-methylindol-1-yl)acetate
SMILESCCOC(=O)C(F)n1c(C)cc2ccccc21
InChIInChI=1S/C13H14FNO2/c1-3-17-13(16)12(14)15-9(2)8-10-6-4-5-7-11(10)15/h4-8,12H,3H2,1-2H3
InChIKeyXNULCQNDPADYEG-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.98
Rot. Bonds3

About ethyl 2-fluoro-2-(2-methylindol-1-yl)acetate

ethyl 2-fluoro-2-(2-methylindol-1-yl)acetate (PubChem CID 81297133) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(2-methylindol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2-methylindol-1-yl)acetate
PubChem CID81297133
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Nameethyl 2-fluoro-2-(2-methylindol-1-yl)acetate
SMILESCCOC(=O)C(F)n1c(C)cc2ccccc21
InChIInChI=1S/C13H14FNO2/c1-3-17-13(16)12(14)15-9(2)8-10-6-4-5-7-11(10)15/h4-8,12H,3H2,1-2H3
InChIKeyXNULCQNDPADYEG-UHFFFAOYSA-N
XLogP2.98
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate
CID 81297624
ethyl 1-(difluoromethyl)indole-2-carboxylate
CID 56618852
1-(1-methoxypropan-2-yl)-2-methylindole
CID 70527172
ethyl (1-methylindol-2-yl) carbonate
CID 67809061
ethyl (E)-4-(2-methylindol-1-yl)but-2-enoate
CID 80546121
ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate
CID 70813717
ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate
CID 36841011
ethyl 2-fluoro-2-[2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 142713397
3,3,3-trifluoro-2-[(2-methylindol-1-yl)methyl]propanoic acid
CID 113259082
ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate
CID 171240068
ethyl (3S)-3-amino-3-anthracen-9-yl-2-fluoropropanoate
CID 171245373
propan-2-yl 2-(2-methylindol-1-yl)acetate
CID 54940863

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(2-methylindol-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(2-methylindol-1-yl)acetate (CID 81297133) is ethyl 2-fluoro-2-(2-methylindol-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2-methylindol-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(2-methylindol-1-yl)acetate is CCOC(=O)C(F)n1c(C)cc2ccccc21.
What is the InChIKey of ethyl 2-fluoro-2-(2-methylindol-1-yl)acetate?
The InChIKey is XNULCQNDPADYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-3-17-13(16)12(14)15-9(2)8-10-6-4-5-7-11(10)15/h4-8,12H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(2-methylindol-1-yl)acetate?
ethyl 2-fluoro-2-(2-methylindol-1-yl)acetate has a molecular weight of 235.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(2-methylindol-1-yl)acetate is sourced from PubChem (CID 81297133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).