(6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone

C16H11F2NO2 — CID 62919876

IUPAC(6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3cc(F)ccc23)cc1F
InChIInChI=1S/C16H11F2NO2/c1-21-15-5-2-9(6-13(15)18)16(20)12-8-19-14-7-10(17)3-4-11(12)14/h2-8,19H,1H3
InChIKeyQYGVEWGGFSUPJL-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.69
Rot. Bonds3

About (6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone

(6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 62919876) has the molecular formula C16H11F2NO2 and a molecular weight of 287.27 g/mol. Its IUPAC name is (6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID62919876
Molecular FormulaC16H11F2NO2
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name(6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3cc(F)ccc23)cc1F
InChIInChI=1S/C16H11F2NO2/c1-21-15-5-2-9(6-13(15)18)16(20)12-8-19-14-7-10(17)3-4-11(12)14/h2-8,19H,1H3
InChIKeyQYGVEWGGFSUPJL-UHFFFAOYSA-N
XLogP3.69
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63187418
(5-chloro-2-methoxyphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163494
(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63209854
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43342087
(3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 62919036
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
(4-chloro-3-fluorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107998272
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
(3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81323304
1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione
CID 118644019
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone (CID 62919876) is (6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c[nH]c3cc(F)ccc23)cc1F.
What is the InChIKey of (6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is QYGVEWGGFSUPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2/c1-21-15-5-2-9(6-13(15)18)16(20)12-8-19-14-7-10(17)3-4-11(12)14/h2-8,19H,1H3.
What are the key properties of (6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone?
(6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 287.27 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 62919876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).