1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone

C17H13F2NO — CID 117098756

IUPAC1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(Cc2ccccc2F)c2c(F)cccc12
InChIInChI=1S/C17H13F2NO/c1-11(21)14-10-20(9-12-5-2-3-7-15(12)18)17-13(14)6-4-8-16(17)19/h2-8,10H,9H2,1H3
InChIKeyKBOUYIWJTOMPJK-UHFFFAOYSA-N
MW285.29 g/mol
LogP4.17
Rot. Bonds3

About 1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone

1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone (PubChem CID 117098756) has the molecular formula C17H13F2NO and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone
PubChem CID117098756
Molecular FormulaC17H13F2NO
Molecular Weight285.29 g/mol
Exact Mass285.10
IUPAC Name1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(Cc2ccccc2F)c2c(F)cccc12
InChIInChI=1S/C17H13F2NO/c1-11(21)14-10-20(9-12-5-2-3-7-15(12)18)17-13(14)6-4-8-16(17)19/h2-8,10H,9H2,1H3
InChIKeyKBOUYIWJTOMPJK-UHFFFAOYSA-N
XLogP4.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-acetyl-7-fluoroindol-1-yl)acetonitrile
CID 117098761
1-[1-(2,3-dihydroxypropyl)-7-fluoroindol-3-yl]ethanone
CID 117098768
4-(3-acetyl-7-fluoroindol-1-yl)butanamide
CID 117098786
1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone
CID 117098778
2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone
CID 117098748
3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide
CID 117098791
1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone
CID 21380859
1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one
CID 4655393
N-(2,6-dimethyl-4-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]-7-hydroxyindol-3-yl]-2-oxoacetamide
CID 10093407
2-(3-acetyl-7-ethylindol-1-yl)acetic acid
CID 6489109
1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid
CID 43316624
5-acetyl-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 80642970

Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone?
The IUPAC name of 1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone (CID 117098756) is 1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone is CC(=O)c1cn(Cc2ccccc2F)c2c(F)cccc12.
What is the InChIKey of 1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone?
The InChIKey is KBOUYIWJTOMPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO/c1-11(21)14-10-20(9-12-5-2-3-7-15(12)18)17-13(14)6-4-8-16(17)19/h2-8,10H,9H2,1H3.
What are the key properties of 1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone?
1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone has a molecular weight of 285.29 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone is sourced from PubChem (CID 117098756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).