1,1-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide

C6H13F2NO3S — CID 43574712

IUPAC1,1-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)C(F)F
InChIInChI=1S/C6H13F2NO3S/c1-5(2)9(3-4-10)13(11,12)6(7)8/h5-6,10H,3-4H2,1-2H3
InChIKeyYFJDHLMFHBRSNV-UHFFFAOYSA-N
MW217.24 g/mol
LogP0.24
Rot. Bonds5

About 1,1-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide

1,1-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 43574712) 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-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
PubChem CID43574712
Molecular FormulaC6H13F2NO3S
Molecular Weight217.24 g/mol
Exact Mass217.06
IUPAC Name1,1-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)C(F)F
InChIInChI=1S/C6H13F2NO3S/c1-5(2)9(3-4-10)13(11,12)6(7)8/h5-6,10H,3-4H2,1-2H3
InChIKeyYFJDHLMFHBRSNV-UHFFFAOYSA-N
XLogP0.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-propan-2-ylmethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide (CID 43574712) is 1,1-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CCO)S(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is YFJDHLMFHBRSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO3S/c1-5(2)9(3-4-10)13(11,12)6(7)8/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 1,1-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
1,1-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 217.24 g/mol, XLogP of 0.24, 5 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-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 43574712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).