2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide

C8H14F3NO3S — CID 87112831

IUPAC2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
SMILESCC(C)(C(N)=O)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H14F3NO3S/c1-7(2,6(12)13)16(14,15)5-3-4-8(9,10)11/h3-5H2,1-2H3,(H2,12,13)
InChIKeyHNACEUHEMYAKAE-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.01
Rot. Bonds5

About 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide

2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide (PubChem CID 87112831) has the molecular formula C8H14F3NO3S and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
PubChem CID87112831
Molecular FormulaC8H14F3NO3S
Molecular Weight261.26 g/mol
Exact Mass261.06
IUPAC Name2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
SMILESCC(C)(C(N)=O)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H14F3NO3S/c1-7(2,6(12)13)16(14,15)5-3-4-8(9,10)11/h3-5H2,1-2H3,(H2,12,13)
InChIKeyHNACEUHEMYAKAE-UHFFFAOYSA-N
XLogP1.01
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The IUPAC name of 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide (CID 87112831) is 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide.
What is the SMILES notation for 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The canonical SMILES for 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide is CC(C)(C(N)=O)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
The InChIKey is HNACEUHEMYAKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3S/c1-7(2,6(12)13)16(14,15)5-3-4-8(9,10)11/h3-5H2,1-2H3,(H2,12,13).
What are the key properties of 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide?
2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide has a molecular weight of 261.26 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide is sourced from PubChem (CID 87112831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).