(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone

C15H7F4NO — CID 63187418

IUPAC(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H7F4NO/c16-8-1-2-9-10(6-20-13(9)5-8)15(21)7-3-11(17)14(19)12(18)4-7/h1-6,20H
InChIKeyUVLFGCDEZQWGKU-UHFFFAOYSA-N
MW293.22 g/mol
LogP3.96
Rot. Bonds2

About (6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone

(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone (PubChem CID 63187418) has the molecular formula C15H7F4NO and a molecular weight of 293.22 g/mol. Its IUPAC name is (6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
PubChem CID63187418
Molecular FormulaC15H7F4NO
Molecular Weight293.22 g/mol
Exact Mass293.05
IUPAC Name(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H7F4NO/c16-8-1-2-9-10(6-20-13(9)5-8)15(21)7-3-11(17)14(19)12(18)4-7/h1-6,20H
InChIKeyUVLFGCDEZQWGKU-UHFFFAOYSA-N
XLogP3.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63209854
(6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 62919876
(3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81323304
(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43342087
(5-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63555314
(3-chloro-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81266663
(3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107949788
(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
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
(2,3-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43342049
(5-bromo-2-chlorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43378890

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of (6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone (CID 63187418) is (6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for (6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone is O=C(c1cc(F)c(F)c(F)c1)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of (6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone?
The InChIKey is UVLFGCDEZQWGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F4NO/c16-8-1-2-9-10(6-20-13(9)5-8)15(21)7-3-11(17)14(19)12(18)4-7/h1-6,20H.
What are the key properties of (6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone?
(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone has a molecular weight of 293.22 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 63187418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).