3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide

C8H13F2NO3S — CID 134298582

IUPAC3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide
SMILESCNC(=O)CCS(=O)(=O)CC1CC1(F)F
InChIInChI=1S/C8H13F2NO3S/c1-11-7(12)2-3-15(13,14)5-6-4-8(6,9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKeyYJRABCUTRRVBRD-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.19
Rot. Bonds5

About 3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide

3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide (PubChem CID 134298582) has the molecular formula C8H13F2NO3S and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide
PubChem CID134298582
Molecular FormulaC8H13F2NO3S
Molecular Weight241.26 g/mol
Exact Mass241.06
IUPAC Name3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide
SMILESCNC(=O)CCS(=O)(=O)CC1CC1(F)F
InChIInChI=1S/C8H13F2NO3S/c1-11-7(12)2-3-15(13,14)5-6-4-8(6,9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKeyYJRABCUTRRVBRD-UHFFFAOYSA-N
XLogP0.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide?
The IUPAC name of 3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide (CID 134298582) is 3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide?
The canonical SMILES for 3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide is CNC(=O)CCS(=O)(=O)CC1CC1(F)F.
What is the InChIKey of 3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide?
The InChIKey is YJRABCUTRRVBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3S/c1-11-7(12)2-3-15(13,14)5-6-4-8(6,9)10/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide?
3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide has a molecular weight of 241.26 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluorocyclopropyl)methylsulfonyl]-N-methylpropanamide is sourced from PubChem (CID 134298582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).