4-fluorobutylsulfanylmethanol

C5H11FOS — CID 88914492

IUPAC4-fluorobutylsulfanylmethanol
SMILESOCSCCCCF
InChIInChI=1S/C5H11FOS/c6-3-1-2-4-8-5-7/h7H,1-5H2
InChIKeyDFFWNAOXNNKNKJ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.42
Rot. Bonds5

About 4-fluorobutylsulfanylmethanol

4-fluorobutylsulfanylmethanol (PubChem CID 88914492) has the molecular formula C5H11FOS and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-fluorobutylsulfanylmethanol.

Molecular Properties

Compound Name4-fluorobutylsulfanylmethanol
PubChem CID88914492
Molecular FormulaC5H11FOS
Molecular Weight138.21 g/mol
Exact Mass138.05
IUPAC Name4-fluorobutylsulfanylmethanol
SMILESOCSCCCCF
InChIInChI=1S/C5H11FOS/c6-3-1-2-4-8-5-7/h7H,1-5H2
InChIKeyDFFWNAOXNNKNKJ-UHFFFAOYSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluorobutylsulfanylmethanol?
The IUPAC name of 4-fluorobutylsulfanylmethanol (CID 88914492) is 4-fluorobutylsulfanylmethanol.
What is the SMILES notation for 4-fluorobutylsulfanylmethanol?
The canonical SMILES for 4-fluorobutylsulfanylmethanol is OCSCCCCF.
What is the InChIKey of 4-fluorobutylsulfanylmethanol?
The InChIKey is DFFWNAOXNNKNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FOS/c6-3-1-2-4-8-5-7/h7H,1-5H2.
What are the key properties of 4-fluorobutylsulfanylmethanol?
4-fluorobutylsulfanylmethanol has a molecular weight of 138.21 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobutylsulfanylmethanol is sourced from PubChem (CID 88914492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).