3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-ol

C5H7F5OS — CID 75530367

IUPAC3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-ol
SMILESOCCCSC(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5OS/c6-4(7,8)5(9,10)12-3-1-2-11/h11H,1-3H2
InChIKeySBNPYZDJZRFECZ-UHFFFAOYSA-N
MW210.17 g/mol
LogP2.26
Rot. Bonds4

About 3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-ol

3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-ol (PubChem CID 75530367) has the molecular formula C5H7F5OS and a molecular weight of 210.17 g/mol. Its IUPAC name is 3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-ol
PubChem CID75530367
Molecular FormulaC5H7F5OS
Molecular Weight210.17 g/mol
Exact Mass210.01
IUPAC Name3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-ol
SMILESOCCCSC(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5OS/c6-4(7,8)5(9,10)12-3-1-2-11/h11H,1-3H2
InChIKeySBNPYZDJZRFECZ-UHFFFAOYSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-ol?
The IUPAC name of 3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-ol (CID 75530367) is 3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-ol.
What is the SMILES notation for 3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-ol?
The canonical SMILES for 3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-ol is OCCCSC(F)(F)C(F)(F)F.
What is the InChIKey of 3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-ol?
The InChIKey is SBNPYZDJZRFECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5OS/c6-4(7,8)5(9,10)12-3-1-2-11/h11H,1-3H2.
What are the key properties of 3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-ol?
3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-ol has a molecular weight of 210.17 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-ol is sourced from PubChem (CID 75530367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).