1-fluoro-4-propan-2-ylsulfonylnaphthalene

C13H13FO2S — CID 135209645

IUPAC1-fluoro-4-propan-2-ylsulfonylnaphthalene
SMILESCC(C)S(=O)(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C13H13FO2S/c1-9(2)17(15,16)13-8-7-12(14)10-5-3-4-6-11(10)13/h3-9H,1-2H3
InChIKeyIOPVZXZCUQQPMB-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.16
Rot. Bonds2

About 1-fluoro-4-propan-2-ylsulfonylnaphthalene

1-fluoro-4-propan-2-ylsulfonylnaphthalene (PubChem CID 135209645) has the molecular formula C13H13FO2S and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-fluoro-4-propan-2-ylsulfonylnaphthalene.

Molecular Properties

Compound Name1-fluoro-4-propan-2-ylsulfonylnaphthalene
PubChem CID135209645
Molecular FormulaC13H13FO2S
Molecular Weight252.31 g/mol
Exact Mass252.06
IUPAC Name1-fluoro-4-propan-2-ylsulfonylnaphthalene
SMILESCC(C)S(=O)(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C13H13FO2S/c1-9(2)17(15,16)13-8-7-12(14)10-5-3-4-6-11(10)13/h3-9H,1-2H3
InChIKeyIOPVZXZCUQQPMB-UHFFFAOYSA-N
XLogP3.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-propan-2-ylsulfonylnaphthalene?
The IUPAC name of 1-fluoro-4-propan-2-ylsulfonylnaphthalene (CID 135209645) is 1-fluoro-4-propan-2-ylsulfonylnaphthalene.
What is the SMILES notation for 1-fluoro-4-propan-2-ylsulfonylnaphthalene?
The canonical SMILES for 1-fluoro-4-propan-2-ylsulfonylnaphthalene is CC(C)S(=O)(=O)c1ccc(F)c2ccccc12.
What is the InChIKey of 1-fluoro-4-propan-2-ylsulfonylnaphthalene?
The InChIKey is IOPVZXZCUQQPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2S/c1-9(2)17(15,16)13-8-7-12(14)10-5-3-4-6-11(10)13/h3-9H,1-2H3.
What are the key properties of 1-fluoro-4-propan-2-ylsulfonylnaphthalene?
1-fluoro-4-propan-2-ylsulfonylnaphthalene has a molecular weight of 252.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-propan-2-ylsulfonylnaphthalene is sourced from PubChem (CID 135209645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).