2-propyl-2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide

C11H22F3NO3S — CID 65005157

IUPAC2-propyl-2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide
SMILESCCCC(CCC)(COCC(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C11H22F3NO3S/c1-3-5-10(6-4-2,9-19(15,16)17)7-18-8-11(12,13)14/h3-9H2,1-2H3,(H2,15,16,17)
InChIKeyKULDTRWWRZGTHP-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.44
Rot. Bonds9

About 2-propyl-2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide

2-propyl-2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide (PubChem CID 65005157) has the molecular formula C11H22F3NO3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-propyl-2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name2-propyl-2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide
PubChem CID65005157
Molecular FormulaC11H22F3NO3S
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name2-propyl-2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide
SMILESCCCC(CCC)(COCC(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C11H22F3NO3S/c1-3-5-10(6-4-2,9-19(15,16)17)7-18-8-11(12,13)14/h3-9H2,1-2H3,(H2,15,16,17)
InChIKeyKULDTRWWRZGTHP-UHFFFAOYSA-N
XLogP2.44
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide?
The IUPAC name of 2-propyl-2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide (CID 65005157) is 2-propyl-2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide.
What is the SMILES notation for 2-propyl-2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide?
The canonical SMILES for 2-propyl-2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide is CCCC(CCC)(COCC(F)(F)F)CS(N)(=O)=O.
What is the InChIKey of 2-propyl-2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide?
The InChIKey is KULDTRWWRZGTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO3S/c1-3-5-10(6-4-2,9-19(15,16)17)7-18-8-11(12,13)14/h3-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-propyl-2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide?
2-propyl-2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide is sourced from PubChem (CID 65005157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).