N-(3,3-difluoropropylsulfonyl)acetamide

C5H9F2NO3S — CID 151371667

IUPACN-(3,3-difluoropropylsulfonyl)acetamide
SMILESCC(=O)NS(=O)(=O)CCC(F)F
InChIInChI=1S/C5H9F2NO3S/c1-4(9)8-12(10,11)3-2-5(6)7/h5H,2-3H2,1H3,(H,8,9)
InChIKeyOQOOHDNVTIRANC-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.11
Rot. Bonds4

About N-(3,3-difluoropropylsulfonyl)acetamide

N-(3,3-difluoropropylsulfonyl)acetamide (PubChem CID 151371667) has the molecular formula C5H9F2NO3S and a molecular weight of 201.19 g/mol. Its IUPAC name is N-(3,3-difluoropropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(3,3-difluoropropylsulfonyl)acetamide
PubChem CID151371667
Molecular FormulaC5H9F2NO3S
Molecular Weight201.19 g/mol
Exact Mass201.03
IUPAC NameN-(3,3-difluoropropylsulfonyl)acetamide
SMILESCC(=O)NS(=O)(=O)CCC(F)F
InChIInChI=1S/C5H9F2NO3S/c1-4(9)8-12(10,11)3-2-5(6)7/h5H,2-3H2,1H3,(H,8,9)
InChIKeyOQOOHDNVTIRANC-UHFFFAOYSA-N
XLogP0.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropylsulfonyl)acetamide?
The IUPAC name of N-(3,3-difluoropropylsulfonyl)acetamide (CID 151371667) is N-(3,3-difluoropropylsulfonyl)acetamide.
What is the SMILES notation for N-(3,3-difluoropropylsulfonyl)acetamide?
The canonical SMILES for N-(3,3-difluoropropylsulfonyl)acetamide is CC(=O)NS(=O)(=O)CCC(F)F.
What is the InChIKey of N-(3,3-difluoropropylsulfonyl)acetamide?
The InChIKey is OQOOHDNVTIRANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO3S/c1-4(9)8-12(10,11)3-2-5(6)7/h5H,2-3H2,1H3,(H,8,9).
What are the key properties of N-(3,3-difluoropropylsulfonyl)acetamide?
N-(3,3-difluoropropylsulfonyl)acetamide has a molecular weight of 201.19 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropylsulfonyl)acetamide is sourced from PubChem (CID 151371667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).