1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one

C17H22FNO — CID 82749677

IUPAC1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1F)CN1CCC2CCCCC21
InChIInChI=1S/C17H22FNO/c18-16-7-3-1-6-14(16)11-15(20)12-19-10-9-13-5-2-4-8-17(13)19/h1,3,6-7,13,17H,2,4-5,8-12H2
InChIKeyKILFREHQIPIXJY-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.20
Rot. Bonds4

About 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one

1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one (PubChem CID 82749677) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one
PubChem CID82749677
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1F)CN1CCC2CCCCC21
InChIInChI=1S/C17H22FNO/c18-16-7-3-1-6-14(16)11-15(20)12-19-10-9-13-5-2-4-8-17(13)19/h1,3,6-7,13,17H,2,4-5,8-12H2
InChIKeyKILFREHQIPIXJY-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one with MolForge

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Related Compounds

1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one
CID 62052719
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1-cyclohexyl-3-(2-fluorophenyl)propan-2-one
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1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
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1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one
CID 62023801
1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one
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1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one
CID 61071400
2-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]acetic acid
CID 102727074
1-[3-(2-fluorophenyl)-2-oxopropyl]-N-methylpiperidine-3-carboxamide
CID 103196911
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(5-amino-2-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one (CID 82749677) is 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one is O=C(Cc1ccccc1F)CN1CCC2CCCCC21.
What is the InChIKey of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one?
The InChIKey is KILFREHQIPIXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c18-16-7-3-1-6-14(16)11-15(20)12-19-10-9-13-5-2-4-8-17(13)19/h1,3,6-7,13,17H,2,4-5,8-12H2.
What are the key properties of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one?
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one has a molecular weight of 275.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 82749677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).