1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone

C15H19FOS — CID 82931688

IUPAC1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccccc1F)C1CCCCCC1
InChIInChI=1S/C15H19FOS/c16-13-9-5-6-10-15(13)18-11-14(17)12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2
InChIKeySSTQKFPJJONZQA-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.46
Rot. Bonds4

About 1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone

1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone (PubChem CID 82931688) has the molecular formula C15H19FOS and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone
PubChem CID82931688
Molecular FormulaC15H19FOS
Molecular Weight266.38 g/mol
Exact Mass266.11
IUPAC Name1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccccc1F)C1CCCCCC1
InChIInChI=1S/C15H19FOS/c16-13-9-5-6-10-15(13)18-11-14(17)12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2
InChIKeySSTQKFPJJONZQA-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 94414053
1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone
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CID 134060793
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid
CID 43441149
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylic acid
CID 64812300
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-fluorophenyl)sulfanylethanone
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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone?
The IUPAC name of 1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone (CID 82931688) is 1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone?
The canonical SMILES for 1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone is O=C(CSc1ccccc1F)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone?
The InChIKey is SSTQKFPJJONZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FOS/c16-13-9-5-6-10-15(13)18-11-14(17)12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2.
What are the key properties of 1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone?
1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone has a molecular weight of 266.38 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone is sourced from PubChem (CID 82931688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).