N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide

C7H13F2NO4S — CID 104857166

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCC(F)(F)CO)S(C)(=O)=O
InChIInChI=1S/C7H13F2NO4S/c1-5(15(2,13)14)6(12)10-3-7(8,9)4-11/h5,11H,3-4H2,1-2H3,(H,10,12)
InChIKeyWXOIWLPQIXAHLX-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.84
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide

N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide (PubChem CID 104857166) has the molecular formula C7H13F2NO4S and a molecular weight of 245.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide
PubChem CID104857166
Molecular FormulaC7H13F2NO4S
Molecular Weight245.25 g/mol
Exact Mass245.05
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCC(F)(F)CO)S(C)(=O)=O
InChIInChI=1S/C7H13F2NO4S/c1-5(15(2,13)14)6(12)10-3-7(8,9)4-11/h5,11H,3-4H2,1-2H3,(H,10,12)
InChIKeyWXOIWLPQIXAHLX-UHFFFAOYSA-N
XLogP-0.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide (CID 104857166) is N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide is CC(C(=O)NCC(F)(F)CO)S(C)(=O)=O.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide?
The InChIKey is WXOIWLPQIXAHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO4S/c1-5(15(2,13)14)6(12)10-3-7(8,9)4-11/h5,11H,3-4H2,1-2H3,(H,10,12).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide has a molecular weight of 245.25 g/mol, XLogP of -0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 104857166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).