1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one

C17H14FNO — CID 62023949

IUPAC1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cn1ccc2ccc(F)cc21
InChIInChI=1S/C17H14FNO/c18-15-7-6-14-8-9-19(17(14)11-15)12-16(20)10-13-4-2-1-3-5-13/h1-9,11H,10,12H2
InChIKeyGAMKHFKSIYEHEP-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.59
Rot. Bonds4

About 1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one

1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one (PubChem CID 62023949) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one
PubChem CID62023949
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cn1ccc2ccc(F)cc21
InChIInChI=1S/C17H14FNO/c18-15-7-6-14-8-9-19(17(14)11-15)12-16(20)10-13-4-2-1-3-5-13/h1-9,11H,10,12H2
InChIKeyGAMKHFKSIYEHEP-UHFFFAOYSA-N
XLogP3.59
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-fluoroindol-1-yl)acetic acid
CID 6498201
N-benzyl-2-(6-fluoroindol-1-yl)acetamide
CID 116619757
(2R)-2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 95118338
2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 47001059
2-(6-fluoroindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62023950
1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 62045340
2-[(6-fluoroindol-1-yl)methyl]benzamide
CID 116619840
N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide
CID 116619982
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde
CID 29129372
1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole
CID 116619963
1-(6-fluoroindol-1-yl)propan-2-ol
CID 10488020

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one?
The IUPAC name of 1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one (CID 62023949) is 1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one?
The canonical SMILES for 1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one is O=C(Cc1ccccc1)Cn1ccc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one?
The InChIKey is GAMKHFKSIYEHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c18-15-7-6-14-8-9-19(17(14)11-15)12-16(20)10-13-4-2-1-3-5-13/h1-9,11H,10,12H2.
What are the key properties of 1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one?
1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one has a molecular weight of 267.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one is sourced from PubChem (CID 62023949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).