3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonamide

C4H5F6NO2S — CID 103311336

IUPAC3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonamide
SMILESNS(=O)(=O)CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H5F6NO2S/c5-3(6,7)2(4(8,9)10)1-14(11,12)13/h2H,1H2,(H2,11,12,13)
InChIKeyURUSBGSPKCKJQQ-UHFFFAOYSA-N
MW245.14 g/mol
LogP1.02
Rot. Bonds2

About 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonamide

3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonamide (PubChem CID 103311336) has the molecular formula C4H5F6NO2S and a molecular weight of 245.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonamide
PubChem CID103311336
Molecular FormulaC4H5F6NO2S
Molecular Weight245.14 g/mol
Exact Mass244.99
IUPAC Name3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonamide
SMILESNS(=O)(=O)CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H5F6NO2S/c5-3(6,7)2(4(8,9)10)1-14(11,12)13/h2H,1H2,(H2,11,12,13)
InChIKeyURUSBGSPKCKJQQ-UHFFFAOYSA-N
XLogP1.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonamide (CID 103311336) is 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonamide is NS(=O)(=O)CC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonamide?
The InChIKey is URUSBGSPKCKJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F6NO2S/c5-3(6,7)2(4(8,9)10)1-14(11,12)13/h2H,1H2,(H2,11,12,13).
What are the key properties of 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonamide?
3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonamide has a molecular weight of 245.14 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonamide is sourced from PubChem (CID 103311336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).