4-(3-fluoropropylsulfanyl)naphthalen-1-ol

C13H13FOS — CID 112596120

IUPAC4-(3-fluoropropylsulfanyl)naphthalen-1-ol
SMILESOc1ccc(SCCCF)c2ccccc12
InChIInChI=1S/C13H13FOS/c14-8-3-9-16-13-7-6-12(15)10-4-1-2-5-11(10)13/h1-2,4-7,15H,3,8-9H2
InChIKeyNYYWOGRDEPSVFJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.00
Rot. Bonds4

About 4-(3-fluoropropylsulfanyl)naphthalen-1-ol

4-(3-fluoropropylsulfanyl)naphthalen-1-ol (PubChem CID 112596120) has the molecular formula C13H13FOS and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(3-fluoropropylsulfanyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(3-fluoropropylsulfanyl)naphthalen-1-ol
PubChem CID112596120
Molecular FormulaC13H13FOS
Molecular Weight236.31 g/mol
Exact Mass236.07
IUPAC Name4-(3-fluoropropylsulfanyl)naphthalen-1-ol
SMILESOc1ccc(SCCCF)c2ccccc12
InChIInChI=1S/C13H13FOS/c14-8-3-9-16-13-7-6-12(15)10-4-1-2-5-11(10)13/h1-2,4-7,15H,3,8-9H2
InChIKeyNYYWOGRDEPSVFJ-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropylsulfanyl)naphthalen-1-ol?
The IUPAC name of 4-(3-fluoropropylsulfanyl)naphthalen-1-ol (CID 112596120) is 4-(3-fluoropropylsulfanyl)naphthalen-1-ol.
What is the SMILES notation for 4-(3-fluoropropylsulfanyl)naphthalen-1-ol?
The canonical SMILES for 4-(3-fluoropropylsulfanyl)naphthalen-1-ol is Oc1ccc(SCCCF)c2ccccc12.
What is the InChIKey of 4-(3-fluoropropylsulfanyl)naphthalen-1-ol?
The InChIKey is NYYWOGRDEPSVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FOS/c14-8-3-9-16-13-7-6-12(15)10-4-1-2-5-11(10)13/h1-2,4-7,15H,3,8-9H2.
What are the key properties of 4-(3-fluoropropylsulfanyl)naphthalen-1-ol?
4-(3-fluoropropylsulfanyl)naphthalen-1-ol has a molecular weight of 236.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropylsulfanyl)naphthalen-1-ol is sourced from PubChem (CID 112596120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).