1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one

C17H13F2NO — CID 82782618

IUPAC1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1F)Cn1ccc2c(F)cccc21
InChIInChI=1S/C17H13F2NO/c18-15-5-2-1-4-12(15)10-13(21)11-20-9-8-14-16(19)6-3-7-17(14)20/h1-9H,10-11H2
InChIKeyNZOYABVCHQKWHH-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.73
Rot. Bonds4

About 1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one

1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one (PubChem CID 82782618) has the molecular formula C17H13F2NO and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one
PubChem CID82782618
Molecular FormulaC17H13F2NO
Molecular Weight285.29 g/mol
Exact Mass285.10
IUPAC Name1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1F)Cn1ccc2c(F)cccc21
InChIInChI=1S/C17H13F2NO/c18-15-5-2-1-4-12(15)10-13(21)11-20-9-8-14-16(19)6-3-7-17(14)20/h1-9H,10-11H2
InChIKeyNZOYABVCHQKWHH-UHFFFAOYSA-N
XLogP3.73
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one
CID 62025058
1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 62045340
N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide
CID 82794493
N-(2-aminophenyl)-2-(4-fluoroindol-1-yl)acetamide
CID 82782601
propan-2-yl 2-(4-fluoroindol-1-yl)acetate
CID 82793078
1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid
CID 43316624
methyl 2-[(4-fluoroindol-1-yl)methyl]benzoate
CID 82956923
1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone
CID 82791619
1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone
CID 82791761
5-(4-fluoroindol-1-yl)pentanoic acid
CID 82792502
5-(4-fluoroindol-1-yl)pentan-1-ol
CID 82791901
2-[4-(hydroxymethyl)indol-1-yl]acetamide
CID 28947081

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one (CID 82782618) is 1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one is O=C(Cc1ccccc1F)Cn1ccc2c(F)cccc21.
What is the InChIKey of 1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one?
The InChIKey is NZOYABVCHQKWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO/c18-15-5-2-1-4-12(15)10-13(21)11-20-9-8-14-16(19)6-3-7-17(14)20/h1-9H,10-11H2.
What are the key properties of 1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one?
1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one has a molecular weight of 285.29 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 82782618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).