N-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide

C6H10F3NO3S — CID 155154965

IUPACN-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide
SMILESCC(=O)NCC(C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C6H10F3NO3S/c1-4(11)10-3-5(6(7,8)9)14(2,12)13/h5H,3H2,1-2H3,(H,10,11)
InChIKeyLUBNXKGYYBPGOH-UHFFFAOYSA-N
MW233.21 g/mol
LogP0.10
Rot. Bonds3

About N-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide

N-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide (PubChem CID 155154965) has the molecular formula C6H10F3NO3S and a molecular weight of 233.21 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide
PubChem CID155154965
Molecular FormulaC6H10F3NO3S
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC NameN-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide
SMILESCC(=O)NCC(C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C6H10F3NO3S/c1-4(11)10-3-5(6(7,8)9)14(2,12)13/h5H,3H2,1-2H3,(H,10,11)
InChIKeyLUBNXKGYYBPGOH-UHFFFAOYSA-N
XLogP0.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide?
The IUPAC name of N-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide (CID 155154965) is N-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide is CC(=O)NCC(C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide?
The InChIKey is LUBNXKGYYBPGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3S/c1-4(11)10-3-5(6(7,8)9)14(2,12)13/h5H,3H2,1-2H3,(H,10,11).
What are the key properties of N-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide?
N-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide has a molecular weight of 233.21 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide is sourced from PubChem (CID 155154965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).