(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone

C16H12FNO — CID 43342087

IUPAC(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C16H12FNO/c1-10-3-2-4-11(7-10)16(19)14-9-18-15-8-12(17)5-6-13(14)15/h2-9,18H,1H3
InChIKeyQKOGYMMXFDUBJI-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.85
Rot. Bonds2

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

(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone (PubChem CID 43342087) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is (6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
PubChem CID43342087
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C16H12FNO/c1-10-3-2-4-11(7-10)16(19)14-9-18-15-8-12(17)5-6-13(14)15/h2-9,18H,1H3
InChIKeyQKOGYMMXFDUBJI-UHFFFAOYSA-N
XLogP3.85
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81323304
(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63209854
(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63187418
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
(2,3-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43342049
(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 106860788
(6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 62919876
(4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43341896
(3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107949788
(3-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 53414472
(3-chloro-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81266663
3-(3-fluoro-5-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916705

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone?
The IUPAC name of (6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone (CID 43342087) is (6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)c2c[nH]c3cc(F)ccc23)c1.
What is the InChIKey of (6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone?
The InChIKey is QKOGYMMXFDUBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c1-10-3-2-4-11(7-10)16(19)14-9-18-15-8-12(17)5-6-13(14)15/h2-9,18H,1H3.
What are the key properties of (6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone?
(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone has a molecular weight of 253.28 g/mol, XLogP of 3.85, 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-methylphenyl)methanone is sourced from PubChem (CID 43342087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).