(3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone

C15H8BrF2NO — CID 107949788

IUPAC(3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1cccc(Br)c1F)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H8BrF2NO/c16-12-3-1-2-10(14(12)18)15(20)11-7-19-13-6-8(17)4-5-9(11)13/h1-7,19H
InChIKeyYQECQHHNKKYTMN-UHFFFAOYSA-N
MW336.14 g/mol
LogP4.44
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone

(3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone (PubChem CID 107949788) has the molecular formula C15H8BrF2NO and a molecular weight of 336.14 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
PubChem CID107949788
Molecular FormulaC15H8BrF2NO
Molecular Weight336.14 g/mol
Exact Mass334.98
IUPAC Name(3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1cccc(Br)c1F)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H8BrF2NO/c16-12-3-1-2-10(14(12)18)15(20)11-7-19-13-6-8(17)4-5-9(11)13/h1-7,19H
InChIKeyYQECQHHNKKYTMN-UHFFFAOYSA-N
XLogP4.44
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107949884
(3-chloro-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81266663
(2,3-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43342049
(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63187418
(6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone
CID 81265814
(5-bromo-2-chlorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43378890
(6-bromo-1H-indol-3-yl)-(2-bromophenyl)methanone
CID 55194674
(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81267214
(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43342087
(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950032
(3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107874151
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone (CID 107949788) is (3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone is O=C(c1cccc(Br)c1F)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone?
The InChIKey is YQECQHHNKKYTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF2NO/c16-12-3-1-2-10(14(12)18)15(20)11-7-19-13-6-8(17)4-5-9(11)13/h1-7,19H.
What are the key properties of (3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone?
(3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone has a molecular weight of 336.14 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 107949788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).