[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methanesulfonamide

C9H16F3NO3S — CID 65002950

IUPAC[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COCC(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)6-16-5-8(3-1-2-4-8)7-17(13,14)15/h1-7H2,(H2,13,14,15)
InChIKeyFWCCXQNQVLBMOJ-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.41
Rot. Bonds5

About [1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methanesulfonamide

[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methanesulfonamide (PubChem CID 65002950) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methanesulfonamide
PubChem CID65002950
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC Name[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COCC(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)6-16-5-8(3-1-2-4-8)7-17(13,14)15/h1-7H2,(H2,13,14,15)
InChIKeyFWCCXQNQVLBMOJ-UHFFFAOYSA-N
XLogP1.41
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methanesulfonamide?
The IUPAC name of [1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methanesulfonamide (CID 65002950) is [1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methanesulfonamide.
What is the SMILES notation for [1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methanesulfonamide?
The canonical SMILES for [1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methanesulfonamide is NS(=O)(=O)CC1(COCC(F)(F)F)CCCC1.
What is the InChIKey of [1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methanesulfonamide?
The InChIKey is FWCCXQNQVLBMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c10-9(11,12)6-16-5-8(3-1-2-4-8)7-17(13,14)15/h1-7H2,(H2,13,14,15).
What are the key properties of [1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methanesulfonamide?
[1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methanesulfonamide has a molecular weight of 275.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethoxymethyl)cyclopentyl]methanesulfonamide is sourced from PubChem (CID 65002950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).