(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone

C15H8ClF2NO — CID 81267214

IUPAC(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1cccc(Cl)c1F)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C15H8ClF2NO/c16-12-3-1-2-9(14(12)18)15(20)11-7-19-13-5-4-8(17)6-10(11)13/h1-7,19H
InChIKeyTVCDMYJLNXFXGD-UHFFFAOYSA-N
MW291.68 g/mol
LogP4.33
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone

(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone (PubChem CID 81267214) has the molecular formula C15H8ClF2NO and a molecular weight of 291.68 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
PubChem CID81267214
Molecular FormulaC15H8ClF2NO
Molecular Weight291.68 g/mol
Exact Mass291.03
IUPAC Name(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1cccc(Cl)c1F)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C15H8ClF2NO/c16-12-3-1-2-9(14(12)18)15(20)11-7-19-13-5-4-8(17)6-10(11)13/h1-7,19H
InChIKeyTVCDMYJLNXFXGD-UHFFFAOYSA-N
XLogP4.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.68
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81266663
(3-bromo-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107949884
(6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone
CID 81265814
(3-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 53414472
(2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107960033
2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 63841269
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
(3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107949788
(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone
CID 64714669
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
(2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 81454697
1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone
CID 63841276

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone (CID 81267214) is (3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone is O=C(c1cccc(Cl)c1F)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone?
The InChIKey is TVCDMYJLNXFXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2NO/c16-12-3-1-2-9(14(12)18)15(20)11-7-19-13-5-4-8(17)6-10(11)13/h1-7,19H.
What are the key properties of (3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone?
(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone has a molecular weight of 291.68 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 81267214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).