methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate

C10H16F3NO4S — CID 55011178

IUPACmethyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H16F3NO4S/c1-18-9(15)3-2-6-19(16,17)14(8-4-5-8)7-10(11,12)13/h8H,2-7H2,1H3
InChIKeyBRBDCCCNOXWEMP-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.30
Rot. Bonds7

About methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate

methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate (PubChem CID 55011178) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
PubChem CID55011178
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Namemethyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H16F3NO4S/c1-18-9(15)3-2-6-19(16,17)14(8-4-5-8)7-10(11,12)13/h8H,2-7H2,1H3
InChIKeyBRBDCCCNOXWEMP-UHFFFAOYSA-N
XLogP1.30
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876267
Methyl 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 54952486
4-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011177
2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
Methyl 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 55011712
4-[Pentan-3-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60952310
Methyl 4-[butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 61460174
Methyl 4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 61460175
Methyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 61460259
Methyl 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 61460309
Methyl 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 61460345
Methyl 4-[pentan-3-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 61460433

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate (CID 55011178) is methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate?
The InChIKey is BRBDCCCNOXWEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c1-18-9(15)3-2-6-19(16,17)14(8-4-5-8)7-10(11,12)13/h8H,2-7H2,1H3.
What are the key properties of methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate?
methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate has a molecular weight of 303.30 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate is sourced from PubChem (CID 55011178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).