(2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone

C13H6Cl2FNOS — CID 107960033

IUPAC(2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H6Cl2FNOS/c14-11-4-8(13(15)19-11)12(18)9-5-17-10-2-1-6(16)3-7(9)10/h1-5,17H
InChIKeyKEDQXJWMXLZRAI-UHFFFAOYSA-N
MW314.17 g/mol
LogP4.91
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone

(2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone (PubChem CID 107960033) has the molecular formula C13H6Cl2FNOS and a molecular weight of 314.17 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone
PubChem CID107960033
Molecular FormulaC13H6Cl2FNOS
Molecular Weight314.17 g/mol
Exact Mass312.95
IUPAC Name(2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H6Cl2FNOS/c14-11-4-8(13(15)19-11)12(18)9-5-17-10-2-1-6(16)3-7(9)10/h1-5,17H
InChIKeyKEDQXJWMXLZRAI-UHFFFAOYSA-N
XLogP4.91
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81267214
(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
(3-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 53414472
(5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone
CID 63839820
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone
CID 63841276
(3-bromo-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107949884
(5-fluoro-1H-indol-3-yl)-(2-methylfuran-3-yl)methanone
CID 63850617
N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208015
(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81109626
1-(5-fluoro-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 53415729

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone (CID 107960033) is (2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone is O=C(c1cc(Cl)sc1Cl)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone?
The InChIKey is KEDQXJWMXLZRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2FNOS/c14-11-4-8(13(15)19-11)12(18)9-5-17-10-2-1-6(16)3-7(9)10/h1-5,17H.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone?
(2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone has a molecular weight of 314.17 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 107960033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).