2,2,3,3-tetrafluoropropane-1-thiol

C3H4F4S — CID 57236549

IUPAC2,2,3,3-tetrafluoropropane-1-thiol
SMILESFC(F)C(F)(F)CS
InChIInChI=1S/C3H4F4S/c4-2(5)3(6,7)1-8/h2,8H,1H2
InChIKeySOLOKTZKIXFHPS-UHFFFAOYSA-N
MW148.12 g/mol
LogP1.82
Rot. Bonds2

About 2,2,3,3-tetrafluoropropane-1-thiol

2,2,3,3-tetrafluoropropane-1-thiol (PubChem CID 57236549) has the molecular formula C3H4F4S and a molecular weight of 148.12 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropane-1-thiol.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropane-1-thiol
PubChem CID57236549
Molecular FormulaC3H4F4S
Molecular Weight148.12 g/mol
Exact Mass148.00
IUPAC Name2,2,3,3-tetrafluoropropane-1-thiol
SMILESFC(F)C(F)(F)CS
InChIInChI=1S/C3H4F4S/c4-2(5)3(6,7)1-8/h2,8H,1H2
InChIKeySOLOKTZKIXFHPS-UHFFFAOYSA-N
XLogP1.82
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 51.82
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

2-(Perfluorobutyl)ethanethiol
CID 109607
3,3,3-Trifluoropropane-1-thiol
CID 17787411
Thiols, C4-10, gamma-omega-perfluoro
CID 109606
1,1,1-Trifluoropropane-2-thiol
CID 15587763
4,4,4-Trifluorobutane-1-thiol
CID 21255083
4,4,5,5,5-Pentafluoropentane-1-thiol
CID 11138000
2,2-Difluoroethane-1-thiol
CID 18934465
Hexafluoroisopropyl mercaptan
CID 20289257
1,1,1,4,4,4-Hexafluorobutane-2,3-dithiol
CID 58489749
2,3-Difluoropropane-1-thiol
CID 17787405
2,2,3,3,3-Pentafluoropropane-1-thiol
CID 17787412
1,3-Difluoropropane-2-thiol
CID 17787414

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropane-1-thiol?
The IUPAC name of 2,2,3,3-tetrafluoropropane-1-thiol (CID 57236549) is 2,2,3,3-tetrafluoropropane-1-thiol.
What is the SMILES notation for 2,2,3,3-tetrafluoropropane-1-thiol?
The canonical SMILES for 2,2,3,3-tetrafluoropropane-1-thiol is FC(F)C(F)(F)CS.
What is the InChIKey of 2,2,3,3-tetrafluoropropane-1-thiol?
The InChIKey is SOLOKTZKIXFHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4S/c4-2(5)3(6,7)1-8/h2,8H,1H2.
What are the key properties of 2,2,3,3-tetrafluoropropane-1-thiol?
2,2,3,3-tetrafluoropropane-1-thiol has a molecular weight of 148.12 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropane-1-thiol is sourced from PubChem (CID 57236549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).