2-[butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid

C12H20F3NO4S — CID 103342603

IUPAC2-[butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H20F3NO4S/c1-2-3-7-16(8-12(13,14)15)21(19,20)10-6-4-5-9(10)11(17)18/h9-10H,2-8H2,1H3,(H,17,18)
InChIKeySBVMDWDRFYWPII-UHFFFAOYSA-N
MW331.36 g/mol
LogP2.23
Rot. Bonds7

About 2-[butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid

2-[butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103342603) has the molecular formula C12H20F3NO4S and a molecular weight of 331.36 g/mol. Its IUPAC name is 2-[butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103342603
Molecular FormulaC12H20F3NO4S
Molecular Weight331.36 g/mol
Exact Mass331.11
IUPAC Name2-[butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H20F3NO4S/c1-2-3-7-16(8-12(13,14)15)21(19,20)10-6-4-5-9(10)11(17)18/h9-10H,2-8H2,1H3,(H,17,18)
InChIKeySBVMDWDRFYWPII-UHFFFAOYSA-N
XLogP2.23
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid (CID 103342603) is 2-[butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid is CCCCN(CC(F)(F)F)S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is SBVMDWDRFYWPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO4S/c1-2-3-7-16(8-12(13,14)15)21(19,20)10-6-4-5-9(10)11(17)18/h9-10H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-[butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid?
2-[butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 331.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103342603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).