3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide

C11H19F4NO3S — CID 167967564

IUPAC3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide
SMILESCC(C)N(CCS(C)(=O)=O)C(=O)C(C)C(F)(F)C(F)F
InChIInChI=1S/C11H19F4NO3S/c1-7(2)16(5-6-20(4,18)19)9(17)8(3)11(14,15)10(12)13/h7-8,10H,5-6H2,1-4H3
InChIKeyMYHWDPUHYFEKTI-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.80
Rot. Bonds7

About 3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide

3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide (PubChem CID 167967564) has the molecular formula C11H19F4NO3S and a molecular weight of 321.34 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide
PubChem CID167967564
Molecular FormulaC11H19F4NO3S
Molecular Weight321.34 g/mol
Exact Mass321.10
IUPAC Name3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide
SMILESCC(C)N(CCS(C)(=O)=O)C(=O)C(C)C(F)(F)C(F)F
InChIInChI=1S/C11H19F4NO3S/c1-7(2)16(5-6-20(4,18)19)9(17)8(3)11(14,15)10(12)13/h7-8,10H,5-6H2,1-4H3
InChIKeyMYHWDPUHYFEKTI-UHFFFAOYSA-N
XLogP1.80
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide?
The IUPAC name of 3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide (CID 167967564) is 3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide?
The canonical SMILES for 3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide is CC(C)N(CCS(C)(=O)=O)C(=O)C(C)C(F)(F)C(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide?
The InChIKey is MYHWDPUHYFEKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO3S/c1-7(2)16(5-6-20(4,18)19)9(17)8(3)11(14,15)10(12)13/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide?
3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide has a molecular weight of 321.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 167967564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).