5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone

C16H12FNOS — CID 82782505

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1cc2c(s1)CCC2)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C16H12FNOS/c17-11-4-2-5-12-15(11)10(8-18-12)16(19)14-7-9-3-1-6-13(9)20-14/h2,4-5,7-8,18H,1,3,6H2
InChIKeyZNYJHPHDRQQBPL-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.09
Rot. Bonds2

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone (PubChem CID 82782505) has the molecular formula C16H12FNOS and a molecular weight of 285.34 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone
PubChem CID82782505
Molecular FormulaC16H12FNOS
Molecular Weight285.34 g/mol
Exact Mass285.06
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1cc2c(s1)CCC2)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C16H12FNOS/c17-11-4-2-5-12-15(11)10(8-18-12)16(19)14-7-9-3-1-6-13(9)20-14/h2,4-5,7-8,18H,1,3,6H2
InChIKeyZNYJHPHDRQQBPL-UHFFFAOYSA-N
XLogP4.09
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(4-fluoro-1H-indol-3-yl)methanone
CID 82782504
(2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 114972947
(2,6-difluorophenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 114972928
(3-chlorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792283
2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
CID 82782160
(4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
CID 82793082
(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107950019
(3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793459
(2-fluoro-4-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43561064
(3-bromo-5-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793362
1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone
CID 82792772
(4-fluoro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882312

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone (CID 82782505) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone is O=C(c1cc2c(s1)CCC2)c1c[nH]c2cccc(F)c12.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone?
The InChIKey is ZNYJHPHDRQQBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS/c17-11-4-2-5-12-15(11)10(8-18-12)16(19)14-7-9-3-1-6-13(9)20-14/h2,4-5,7-8,18H,1,3,6H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone has a molecular weight of 285.34 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 82782505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).