1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide

C5H6F7NOS — CID 23236283

IUPAC1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide
SMILESCN(C)S(=O)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F7NOS/c1-13(2)15(14)3(6,4(7,8)9)5(10,11)12/h1-2H3
InChIKeyYAMBJECTSAKHON-UHFFFAOYSA-N
MW261.16 g/mol
LogP2.00
Rot. Bonds2

About 1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide

1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide (PubChem CID 23236283) has the molecular formula C5H6F7NOS and a molecular weight of 261.16 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide
PubChem CID23236283
Molecular FormulaC5H6F7NOS
Molecular Weight261.16 g/mol
Exact Mass261.01
IUPAC Name1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide
SMILESCN(C)S(=O)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F7NOS/c1-13(2)15(14)3(6,4(7,8)9)5(10,11)12/h1-2H3
InChIKeyYAMBJECTSAKHON-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide (CID 23236283) is 1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide is CN(C)S(=O)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide?
The InChIKey is YAMBJECTSAKHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F7NOS/c1-13(2)15(14)3(6,4(7,8)9)5(10,11)12/h1-2H3.
What are the key properties of 1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide?
1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide has a molecular weight of 261.16 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 23236283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).