N-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide

C7H15F2NO2S — CID 165034086

IUPACN-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CC(C)(F)F)S(C)(=O)=O
InChIInChI=1S/C7H15F2NO2S/c1-6(2)10(13(4,11)12)5-7(3,8)9/h6H,5H2,1-4H3
InChIKeyVTDKPGUJBHRUQL-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.31
Rot. Bonds4

About N-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide

N-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 165034086) has the molecular formula C7H15F2NO2S and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide
PubChem CID165034086
Molecular FormulaC7H15F2NO2S
Molecular Weight215.26 g/mol
Exact Mass215.08
IUPAC NameN-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CC(C)(F)F)S(C)(=O)=O
InChIInChI=1S/C7H15F2NO2S/c1-6(2)10(13(4,11)12)5-7(3,8)9/h6H,5H2,1-4H3
InChIKeyVTDKPGUJBHRUQL-UHFFFAOYSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide (CID 165034086) is N-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CC(C)(F)F)S(C)(=O)=O.
What is the InChIKey of N-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is VTDKPGUJBHRUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO2S/c1-6(2)10(13(4,11)12)5-7(3,8)9/h6H,5H2,1-4H3.
What are the key properties of N-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide?
N-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 215.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 165034086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).