1,1,2,2-tetrafluoropropane-1-thiol

C3H4F4S — CID 88556177

IUPAC1,1,2,2-tetrafluoropropane-1-thiol
SMILESCC(F)(F)C(F)(F)S
InChIInChI=1S/C3H4F4S/c1-2(4,5)3(6,7)8/h8H,1H3
InChIKeyXBYKLVLYKKMXIJ-UHFFFAOYSA-N
MW148.12 g/mol
LogP2.16
Rot. Bonds1

About 1,1,2,2-tetrafluoropropane-1-thiol

1,1,2,2-tetrafluoropropane-1-thiol (PubChem CID 88556177) has the molecular formula C3H4F4S and a molecular weight of 148.12 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoropropane-1-thiol.

Molecular Properties

Compound Name1,1,2,2-tetrafluoropropane-1-thiol
PubChem CID88556177
Molecular FormulaC3H4F4S
Molecular Weight148.12 g/mol
Exact Mass148.00
IUPAC Name1,1,2,2-tetrafluoropropane-1-thiol
SMILESCC(F)(F)C(F)(F)S
InChIInChI=1S/C3H4F4S/c1-2(4,5)3(6,7)8/h8H,1H3
InChIKeyXBYKLVLYKKMXIJ-UHFFFAOYSA-N
XLogP2.16
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Difluoroethanethiol
CID 17911591
1h-Hexafluoro-2-propanethiol
CID 23432728
Octafluoropentanethiol
CID 129814399
1,1,2-Trifluoropropane-1-thiol
CID 17935413
1,1,2,2,3,3-Hexafluorobutane-1-thiol
CID 21652720
1,1,2,2,3,3-Hexafluoropropane-1-thiol
CID 21652726
1,1,2,3,3,3-Hexafluoropropane-1-thiol
CID 22076203
1,1,1,3,3,3-Hexafluoro-2-methylpropane-2-thiol
CID 23432632
1,1,2-Trifluoropropane-2-thiol
CID 23432734
1,1,2,2,3-Pentafluoropentane-1-thiol
CID 55274920
1,1-Difluoropropane-1-thiol
CID 57219714
1,2-Difluoropropane-2-thiol
CID 57480114

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoropropane-1-thiol?
The IUPAC name of 1,1,2,2-tetrafluoropropane-1-thiol (CID 88556177) is 1,1,2,2-tetrafluoropropane-1-thiol.
What is the SMILES notation for 1,1,2,2-tetrafluoropropane-1-thiol?
The canonical SMILES for 1,1,2,2-tetrafluoropropane-1-thiol is CC(F)(F)C(F)(F)S.
What is the InChIKey of 1,1,2,2-tetrafluoropropane-1-thiol?
The InChIKey is XBYKLVLYKKMXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4S/c1-2(4,5)3(6,7)8/h8H,1H3.
What are the key properties of 1,1,2,2-tetrafluoropropane-1-thiol?
1,1,2,2-tetrafluoropropane-1-thiol has a molecular weight of 148.12 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoropropane-1-thiol is sourced from PubChem (CID 88556177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).