3-(difluoromethylsulfanyl)propan-1-ol

C4H8F2OS — CID 66114096

IUPAC3-(difluoromethylsulfanyl)propan-1-ol
SMILESOCCCSC(F)F
InChIInChI=1S/C4H8F2OS/c5-4(6)8-3-1-2-7/h4,7H,1-3H2
InChIKeyJDFVRIQCQLHRAW-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.32
Rot. Bonds4

About 3-(difluoromethylsulfanyl)propan-1-ol

3-(difluoromethylsulfanyl)propan-1-ol (PubChem CID 66114096) has the molecular formula C4H8F2OS and a molecular weight of 142.17 g/mol. Its IUPAC name is 3-(difluoromethylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-(difluoromethylsulfanyl)propan-1-ol
PubChem CID66114096
Molecular FormulaC4H8F2OS
Molecular Weight142.17 g/mol
Exact Mass142.03
IUPAC Name3-(difluoromethylsulfanyl)propan-1-ol
SMILESOCCCSC(F)F
InChIInChI=1S/C4H8F2OS/c5-4(6)8-3-1-2-7/h4,7H,1-3H2
InChIKeyJDFVRIQCQLHRAW-UHFFFAOYSA-N
XLogP1.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.32
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 3-(difluoromethylsulfanyl)propan-1-ol?
The IUPAC name of 3-(difluoromethylsulfanyl)propan-1-ol (CID 66114096) is 3-(difluoromethylsulfanyl)propan-1-ol.
What is the SMILES notation for 3-(difluoromethylsulfanyl)propan-1-ol?
The canonical SMILES for 3-(difluoromethylsulfanyl)propan-1-ol is OCCCSC(F)F.
What is the InChIKey of 3-(difluoromethylsulfanyl)propan-1-ol?
The InChIKey is JDFVRIQCQLHRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2OS/c5-4(6)8-3-1-2-7/h4,7H,1-3H2.
What are the key properties of 3-(difluoromethylsulfanyl)propan-1-ol?
3-(difluoromethylsulfanyl)propan-1-ol has a molecular weight of 142.17 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfanyl)propan-1-ol is sourced from PubChem (CID 66114096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).