2,2,3,3-tetrafluoropropane-1-sulfinamide

C3H5F4NOS — CID 165461484

IUPAC2,2,3,3-tetrafluoropropane-1-sulfinamide
SMILESNS(=O)CC(F)(F)C(F)F
InChIInChI=1S/C3H5F4NOS/c4-2(5)3(6,7)1-10(8)9/h2H,1,8H2
InChIKeyMHRAWZQGDRNVBM-UHFFFAOYSA-N
MW179.14 g/mol
LogP0.51
Rot. Bonds3

About 2,2,3,3-tetrafluoropropane-1-sulfinamide

2,2,3,3-tetrafluoropropane-1-sulfinamide (PubChem CID 165461484) has the molecular formula C3H5F4NOS and a molecular weight of 179.14 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropane-1-sulfinamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropane-1-sulfinamide
PubChem CID165461484
Molecular FormulaC3H5F4NOS
Molecular Weight179.14 g/mol
Exact Mass179.00
IUPAC Name2,2,3,3-tetrafluoropropane-1-sulfinamide
SMILESNS(=O)CC(F)(F)C(F)F
InChIInChI=1S/C3H5F4NOS/c4-2(5)3(6,7)1-10(8)9/h2H,1,8H2
InChIKeyMHRAWZQGDRNVBM-UHFFFAOYSA-N
XLogP0.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropane-1-sulfinamide?
The IUPAC name of 2,2,3,3-tetrafluoropropane-1-sulfinamide (CID 165461484) is 2,2,3,3-tetrafluoropropane-1-sulfinamide.
What is the SMILES notation for 2,2,3,3-tetrafluoropropane-1-sulfinamide?
The canonical SMILES for 2,2,3,3-tetrafluoropropane-1-sulfinamide is NS(=O)CC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropane-1-sulfinamide?
The InChIKey is MHRAWZQGDRNVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4NOS/c4-2(5)3(6,7)1-10(8)9/h2H,1,8H2.
What are the key properties of 2,2,3,3-tetrafluoropropane-1-sulfinamide?
2,2,3,3-tetrafluoropropane-1-sulfinamide has a molecular weight of 179.14 g/mol, XLogP of 0.51, 3 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-sulfinamide is sourced from PubChem (CID 165461484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).