N-(2,2-difluoropropyl)methanesulfonamide

C4H9F2NO2S — CID 18686371

IUPACN-(2,2-difluoropropyl)methanesulfonamide
SMILESCC(F)(F)CNS(C)(=O)=O
InChIInChI=1S/C4H9F2NO2S/c1-4(5,6)3-7-10(2,8)9/h7H,3H2,1-2H3
InChIKeyOHVVREANMNIAMB-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.19
Rot. Bonds3

About N-(2,2-difluoropropyl)methanesulfonamide

N-(2,2-difluoropropyl)methanesulfonamide (PubChem CID 18686371) has the molecular formula C4H9F2NO2S and a molecular weight of 173.18 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)methanesulfonamide
PubChem CID18686371
Molecular FormulaC4H9F2NO2S
Molecular Weight173.18 g/mol
Exact Mass173.03
IUPAC NameN-(2,2-difluoropropyl)methanesulfonamide
SMILESCC(F)(F)CNS(C)(=O)=O
InChIInChI=1S/C4H9F2NO2S/c1-4(5,6)3-7-10(2,8)9/h7H,3H2,1-2H3
InChIKeyOHVVREANMNIAMB-UHFFFAOYSA-N
XLogP0.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
3,3,3-trifluoro-N-methylpropane-1-sulfonamide
CID 88571719
1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
CID 58427695
N-(3-aminopropyl)-1,1-difluoromethanesulfonamide hydrochloride
CID 137935095
1,1,1-trifluoro-N-pentan-3-ylmethanesulfonamide
CID 166445234
N-(3-aminopropyl)-1,1,1-trifluoromethanesulfonamide
CID 10998172
4-Trifluoromethanesulfonamido-1-butylamine
CID 11276038
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
N-(2-fluoropropyl)methanesulfonamide
CID 18686378
N-ethyl-2,2,2-trifluoroethanesulfonamide
CID 20718448
N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide
CID 21027126

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)methanesulfonamide?
The IUPAC name of N-(2,2-difluoropropyl)methanesulfonamide (CID 18686371) is N-(2,2-difluoropropyl)methanesulfonamide.
What is the SMILES notation for N-(2,2-difluoropropyl)methanesulfonamide?
The canonical SMILES for N-(2,2-difluoropropyl)methanesulfonamide is CC(F)(F)CNS(C)(=O)=O.
What is the InChIKey of N-(2,2-difluoropropyl)methanesulfonamide?
The InChIKey is OHVVREANMNIAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO2S/c1-4(5,6)3-7-10(2,8)9/h7H,3H2,1-2H3.
What are the key properties of N-(2,2-difluoropropyl)methanesulfonamide?
N-(2,2-difluoropropyl)methanesulfonamide has a molecular weight of 173.18 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)methanesulfonamide is sourced from PubChem (CID 18686371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).