4-(2,2-difluoroethylsulfanyl)naphthalen-1-ol

C12H10F2OS — CID 112596096

IUPAC4-(2,2-difluoroethylsulfanyl)naphthalen-1-ol
SMILESOc1ccc(SCC(F)F)c2ccccc12
InChIInChI=1S/C12H10F2OS/c13-12(14)7-16-11-6-5-10(15)8-3-1-2-4-9(8)11/h1-6,12,15H,7H2
InChIKeyGHWACCPAELESDW-UHFFFAOYSA-N
MW240.27 g/mol
LogP3.90
Rot. Bonds3

About 4-(2,2-difluoroethylsulfanyl)naphthalen-1-ol

4-(2,2-difluoroethylsulfanyl)naphthalen-1-ol (PubChem CID 112596096) has the molecular formula C12H10F2OS and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-(2,2-difluoroethylsulfanyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethylsulfanyl)naphthalen-1-ol
PubChem CID112596096
Molecular FormulaC12H10F2OS
Molecular Weight240.27 g/mol
Exact Mass240.04
IUPAC Name4-(2,2-difluoroethylsulfanyl)naphthalen-1-ol
SMILESOc1ccc(SCC(F)F)c2ccccc12
InChIInChI=1S/C12H10F2OS/c13-12(14)7-16-11-6-5-10(15)8-3-1-2-4-9(8)11/h1-6,12,15H,7H2
InChIKeyGHWACCPAELESDW-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethylsulfanyl)naphthalen-1-ol?
The IUPAC name of 4-(2,2-difluoroethylsulfanyl)naphthalen-1-ol (CID 112596096) is 4-(2,2-difluoroethylsulfanyl)naphthalen-1-ol.
What is the SMILES notation for 4-(2,2-difluoroethylsulfanyl)naphthalen-1-ol?
The canonical SMILES for 4-(2,2-difluoroethylsulfanyl)naphthalen-1-ol is Oc1ccc(SCC(F)F)c2ccccc12.
What is the InChIKey of 4-(2,2-difluoroethylsulfanyl)naphthalen-1-ol?
The InChIKey is GHWACCPAELESDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2OS/c13-12(14)7-16-11-6-5-10(15)8-3-1-2-4-9(8)11/h1-6,12,15H,7H2.
What are the key properties of 4-(2,2-difluoroethylsulfanyl)naphthalen-1-ol?
4-(2,2-difluoroethylsulfanyl)naphthalen-1-ol has a molecular weight of 240.27 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethylsulfanyl)naphthalen-1-ol is sourced from PubChem (CID 112596096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).