ethyl 4-fluoroindole-1-carboxylate

C11H10FNO2 — CID 137467243

IUPACethyl 4-fluoroindole-1-carboxylate
SMILESCCOC(=O)n1ccc2c(F)cccc21
InChIInChI=1S/C11H10FNO2/c1-2-15-11(14)13-7-6-8-9(12)4-3-5-10(8)13/h3-7H,2H2,1H3
InChIKeySYZXXSVYJPEPEC-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.79
Rot. Bonds1

About ethyl 4-fluoroindole-1-carboxylate

ethyl 4-fluoroindole-1-carboxylate (PubChem CID 137467243) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is ethyl 4-fluoroindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoroindole-1-carboxylate
PubChem CID137467243
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Nameethyl 4-fluoroindole-1-carboxylate
SMILESCCOC(=O)n1ccc2c(F)cccc21
InChIInChI=1S/C11H10FNO2/c1-2-15-11(14)13-7-6-8-9(12)4-3-5-10(8)13/h3-7H,2H2,1H3
InChIKeySYZXXSVYJPEPEC-UHFFFAOYSA-N
XLogP2.79
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride
CID 23659103
ethyl (E)-4-(4-fluoroindol-1-yl)but-2-enoate
CID 82792156
N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide
CID 82794493
ethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate
CID 134122664
diethyl 2-(1-butoxycarbonylindol-4-yl)oxypropanedioate
CID 70821042
ethyl 4-fluoro-1-methylindole-2-carboxylate
CID 171397337
ethyl 3-bromoindole-1-carboxylate
CID 67446481
methyl 2-(4-fluoroindol-1-yl)propanoate
CID 59466070
benzyl 4-(difluoromethyl)indole-1-carboxylate
CID 175995235
1-O-tert-butyl 2-O-ethyl 4-fluoroindole-1,2-dicarboxylate
CID 58941047
ethyl 2-methylpyrrole-1-carboxylate
CID 89052095
ethyl 2,6-difluorobenzoate
CID 519631

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoroindole-1-carboxylate?
The IUPAC name of ethyl 4-fluoroindole-1-carboxylate (CID 137467243) is ethyl 4-fluoroindole-1-carboxylate.
What is the SMILES notation for ethyl 4-fluoroindole-1-carboxylate?
The canonical SMILES for ethyl 4-fluoroindole-1-carboxylate is CCOC(=O)n1ccc2c(F)cccc21.
What is the InChIKey of ethyl 4-fluoroindole-1-carboxylate?
The InChIKey is SYZXXSVYJPEPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-2-15-11(14)13-7-6-8-9(12)4-3-5-10(8)13/h3-7H,2H2,1H3.
What are the key properties of ethyl 4-fluoroindole-1-carboxylate?
ethyl 4-fluoroindole-1-carboxylate has a molecular weight of 207.20 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoroindole-1-carboxylate is sourced from PubChem (CID 137467243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).