2-(fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol

C5H8F4OS2 — CID 153429860

IUPAC2-(fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol
SMILESOCC(CSC(F)(F)F)SCF
InChIInChI=1S/C5H8F4OS2/c6-3-11-4(1-10)2-12-5(7,8)9/h4,10H,1-3H2
InChIKeyTVJQQNVDDDKXGO-UHFFFAOYSA-N
MW224.24 g/mol
LogP2.26
Rot. Bonds5

About 2-(fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol

2-(fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol (PubChem CID 153429860) has the molecular formula C5H8F4OS2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-(fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-(fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol
PubChem CID153429860
Molecular FormulaC5H8F4OS2
Molecular Weight224.24 g/mol
Exact Mass224.00
IUPAC Name2-(fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol
SMILESOCC(CSC(F)(F)F)SCF
InChIInChI=1S/C5H8F4OS2/c6-3-11-4(1-10)2-12-5(7,8)9/h4,10H,1-3H2
InChIKeyTVJQQNVDDDKXGO-UHFFFAOYSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol?
The IUPAC name of 2-(fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol (CID 153429860) is 2-(fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-(fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol?
The canonical SMILES for 2-(fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol is OCC(CSC(F)(F)F)SCF.
What is the InChIKey of 2-(fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol?
The InChIKey is TVJQQNVDDDKXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4OS2/c6-3-11-4(1-10)2-12-5(7,8)9/h4,10H,1-3H2.
What are the key properties of 2-(fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol?
2-(fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol has a molecular weight of 224.24 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylsulfanyl)-3-(trifluoromethylsulfanyl)propan-1-ol is sourced from PubChem (CID 153429860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).