3,3,3-trifluoropropane-1-sulfonyl fluoride

C3H4F4O2S — CID 56604609

IUPAC3,3,3-trifluoropropane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCC(F)(F)F
InChIInChI=1S/C3H4F4O2S/c4-3(5,6)1-2-10(7,8)9/h1-2H2
InChIKeyRKPHCWRJVYUNST-UHFFFAOYSA-N
MW180.12 g/mol
LogP1.24
Rot. Bonds2

About 3,3,3-trifluoropropane-1-sulfonyl fluoride

3,3,3-trifluoropropane-1-sulfonyl fluoride (PubChem CID 56604609) has the molecular formula C3H4F4O2S and a molecular weight of 180.12 g/mol. Its IUPAC name is 3,3,3-trifluoropropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3,3,3-trifluoropropane-1-sulfonyl fluoride
PubChem CID56604609
Molecular FormulaC3H4F4O2S
Molecular Weight180.12 g/mol
Exact Mass179.99
IUPAC Name3,3,3-trifluoropropane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCC(F)(F)F
InChIInChI=1S/C3H4F4O2S/c4-3(5,6)1-2-10(7,8)9/h1-2H2
InChIKeyRKPHCWRJVYUNST-UHFFFAOYSA-N
XLogP1.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanesulfonyl fluoride, 1,2,2,2-tetrafluoro-
CID 160613
Ethanesulfonyl fluoride, 2-fluoro-
CID 68029
Propanesulfonyl fluoride, 3-fluoro-
CID 68033
2,2,2-Trifluoroethanesulfonyl fluoride
CID 12929868
FT-Pfsa; C4H5F5O3S
CID 85694534
4:2 Fluorotelomer sulfonate
CID 20734542
3,3,3-Trifluoropropane-1-sulfonyl chloride
CID 2761177
2,2,3,3-Tetrafluoropropane-1-sulfonyl chloride
CID 21498346
4,4,5,5,5-Pentafluoropentane-1-sulfonyl chloride
CID 21973190
3,3-Difluoropropane-1-sulfonyl chloride
CID 55263296
2,2,3,3,3-Pentafluoropropane-1-sulfonyl chloride
CID 71758125
3,3,3-Trifluoropropylenesulfonyl fluoride
CID 118682782

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropane-1-sulfonyl fluoride?
The IUPAC name of 3,3,3-trifluoropropane-1-sulfonyl fluoride (CID 56604609) is 3,3,3-trifluoropropane-1-sulfonyl fluoride.
What is the SMILES notation for 3,3,3-trifluoropropane-1-sulfonyl fluoride?
The canonical SMILES for 3,3,3-trifluoropropane-1-sulfonyl fluoride is O=S(=O)(F)CCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoropropane-1-sulfonyl fluoride?
The InChIKey is RKPHCWRJVYUNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O2S/c4-3(5,6)1-2-10(7,8)9/h1-2H2.
What are the key properties of 3,3,3-trifluoropropane-1-sulfonyl fluoride?
3,3,3-trifluoropropane-1-sulfonyl fluoride has a molecular weight of 180.12 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropane-1-sulfonyl fluoride is sourced from PubChem (CID 56604609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).