ethyl 4-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)butanoate

C17H20FNO2 — CID 142970694

IUPACethyl 4-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)butanoate
SMILESCCOC(=O)CCCC1CCc2c1[nH]c1ccc(F)cc21
InChIInChI=1S/C17H20FNO2/c1-2-21-16(20)5-3-4-11-6-8-13-14-10-12(18)7-9-15(14)19-17(11)13/h7,9-11,19H,2-6,8H2,1H3
InChIKeyDEAIFHGGLYWTFW-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.07
Rot. Bonds5

About ethyl 4-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)butanoate

ethyl 4-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)butanoate (PubChem CID 142970694) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is ethyl 4-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)butanoate
PubChem CID142970694
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Nameethyl 4-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)butanoate
SMILESCCOC(=O)CCCC1CCc2c1[nH]c1ccc(F)cc21
InChIInChI=1S/C17H20FNO2/c1-2-21-16(20)5-3-4-11-6-8-13-14-10-12(18)7-9-15(14)19-17(11)13/h7,9-11,19H,2-6,8H2,1H3
InChIKeyDEAIFHGGLYWTFW-UHFFFAOYSA-N
XLogP4.07
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)butanoate?
The IUPAC name of ethyl 4-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)butanoate (CID 142970694) is ethyl 4-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)butanoate.
What is the SMILES notation for ethyl 4-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)butanoate?
The canonical SMILES for ethyl 4-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)butanoate is CCOC(=O)CCCC1CCc2c1[nH]c1ccc(F)cc21.
What is the InChIKey of ethyl 4-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)butanoate?
The InChIKey is DEAIFHGGLYWTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-2-21-16(20)5-3-4-11-6-8-13-14-10-12(18)7-9-15(14)19-17(11)13/h7,9-11,19H,2-6,8H2,1H3.
What are the key properties of ethyl 4-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)butanoate?
ethyl 4-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)butanoate has a molecular weight of 289.35 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)butanoate is sourced from PubChem (CID 142970694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).