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

C16H11F2NO — CID 63209854

IUPAC(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3cc(F)ccc23)ccc1F
InChIInChI=1S/C16H11F2NO/c1-9-6-10(2-5-14(9)18)16(20)13-8-19-15-7-11(17)3-4-12(13)15/h2-8,19H,1H3
InChIKeyYFIOVKURHZXDDD-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.99
Rot. Bonds2

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

(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 63209854) has the molecular formula C16H11F2NO and a molecular weight of 271.27 g/mol. Its IUPAC name is (6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID63209854
Molecular FormulaC16H11F2NO
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3cc(F)ccc23)ccc1F
InChIInChI=1S/C16H11F2NO/c1-9-6-10(2-5-14(9)18)16(20)13-8-19-15-7-11(17)3-4-12(13)15/h2-8,19H,1H3
InChIKeyYFIOVKURHZXDDD-UHFFFAOYSA-N
XLogP3.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63187418
(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43342087
(6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 62919876
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
(3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81323304
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
(2,3-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43342049
(3-chloro-4-fluorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 82875840
(4-chloro-3-fluorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107998272
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 106860788
3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916673

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone (CID 63209854) is (6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)c2c[nH]c3cc(F)ccc23)ccc1F.
What is the InChIKey of (6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is YFIOVKURHZXDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO/c1-9-6-10(2-5-14(9)18)16(20)13-8-19-15-7-11(17)3-4-12(13)15/h2-8,19H,1H3.
What are the key properties of (6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone?
(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 271.27 g/mol, XLogP of 3.99, 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)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 63209854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).