4-(4-fluorophenyl)sulfanylbutan-1-ol

C10H13FOS — CID 43510096

IUPAC4-(4-fluorophenyl)sulfanylbutan-1-ol
SMILESOCCCCSc1ccc(F)cc1
InChIInChI=1S/C10H13FOS/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6,12H,1-2,7-8H2
InChIKeyJKVSKFBOTCUOQJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.69
Rot. Bonds5

About 4-(4-fluorophenyl)sulfanylbutan-1-ol

4-(4-fluorophenyl)sulfanylbutan-1-ol (PubChem CID 43510096) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanylbutan-1-ol
PubChem CID43510096
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name4-(4-fluorophenyl)sulfanylbutan-1-ol
SMILESOCCCCSc1ccc(F)cc1
InChIInChI=1S/C10H13FOS/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6,12H,1-2,7-8H2
InChIKeyJKVSKFBOTCUOQJ-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.69
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-(4-fluorophenyl)sulfanylbutan-1-ol?
The IUPAC name of 4-(4-fluorophenyl)sulfanylbutan-1-ol (CID 43510096) is 4-(4-fluorophenyl)sulfanylbutan-1-ol.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanylbutan-1-ol?
The canonical SMILES for 4-(4-fluorophenyl)sulfanylbutan-1-ol is OCCCCSc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanylbutan-1-ol?
The InChIKey is JKVSKFBOTCUOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6,12H,1-2,7-8H2.
What are the key properties of 4-(4-fluorophenyl)sulfanylbutan-1-ol?
4-(4-fluorophenyl)sulfanylbutan-1-ol has a molecular weight of 200.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanylbutan-1-ol is sourced from PubChem (CID 43510096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).