1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide

C5H9F4NO2S — CID 58435975

IUPAC1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)C(F)(F)CC(F)F
InChIInChI=1S/C5H9F4NO2S/c1-10(2)13(11,12)5(8,9)3-4(6)7/h4H,3H2,1-2H3
InChIKeyBOVCKQDLJRKNRL-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.13
Rot. Bonds4

About 1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide

1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide (PubChem CID 58435975) has the molecular formula C5H9F4NO2S and a molecular weight of 223.19 g/mol. Its IUPAC name is 1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide
PubChem CID58435975
Molecular FormulaC5H9F4NO2S
Molecular Weight223.19 g/mol
Exact Mass223.03
IUPAC Name1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)C(F)(F)CC(F)F
InChIInChI=1S/C5H9F4NO2S/c1-10(2)13(11,12)5(8,9)3-4(6)7/h4H,3H2,1-2H3
InChIKeyBOVCKQDLJRKNRL-UHFFFAOYSA-N
XLogP1.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide (CID 58435975) is 1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide is CN(C)S(=O)(=O)C(F)(F)CC(F)F.
What is the InChIKey of 1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is BOVCKQDLJRKNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F4NO2S/c1-10(2)13(11,12)5(8,9)3-4(6)7/h4H,3H2,1-2H3.
What are the key properties of 1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide?
1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 223.19 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 58435975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).