1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide

C6H13F2NO3S — CID 61425864

IUPAC1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide
SMILESCCCN(CCO)S(=O)(=O)C(F)F
InChIInChI=1S/C6H13F2NO3S/c1-2-3-9(4-5-10)13(11,12)6(7)8/h6,10H,2-5H2,1H3
InChIKeyQVZKLVIPOJTNKL-UHFFFAOYSA-N
MW217.24 g/mol
LogP0.24
Rot. Bonds6

About 1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide

1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide (PubChem CID 61425864) has the molecular formula C6H13F2NO3S and a molecular weight of 217.24 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide
PubChem CID61425864
Molecular FormulaC6H13F2NO3S
Molecular Weight217.24 g/mol
Exact Mass217.06
IUPAC Name1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide
SMILESCCCN(CCO)S(=O)(=O)C(F)F
InChIInChI=1S/C6H13F2NO3S/c1-2-3-9(4-5-10)13(11,12)6(7)8/h6,10H,2-5H2,1H3
InChIKeyQVZKLVIPOJTNKL-UHFFFAOYSA-N
XLogP0.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide (CID 61425864) is 1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide is CCCN(CCO)S(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide?
The InChIKey is QVZKLVIPOJTNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO3S/c1-2-3-9(4-5-10)13(11,12)6(7)8/h6,10H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide?
1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide has a molecular weight of 217.24 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-hydroxyethyl)-N-propylmethanesulfonamide is sourced from PubChem (CID 61425864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).