4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

C10H18F3NO4S — CID 54876266

IUPAC4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H18F3NO4S/c1-8(2)6-14(7-10(11,12)13)19(17,18)5-3-4-9(15)16/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyHPKWHBJNFMTPHI-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.70
Rot. Bonds8

About 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (PubChem CID 54876266) has the molecular formula C10H18F3NO4S and a molecular weight of 305.32 g/mol. Its IUPAC name is 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
PubChem CID54876266
Molecular FormulaC10H18F3NO4S
Molecular Weight305.32 g/mol
Exact Mass305.09
IUPAC Name4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H18F3NO4S/c1-8(2)6-14(7-10(11,12)13)19(17,18)5-3-4-9(15)16/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyHPKWHBJNFMTPHI-UHFFFAOYSA-N
XLogP1.70
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876241
4-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876267
4-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 54936614
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947756
2-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947862
4-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011177
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011516
Methyl 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 55011712
3-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55028962
4-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60891738
4-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60950661
3-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60950822

Frequently Asked Questions

What is the IUPAC name of 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (CID 54876266) is 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is CC(C)CN(CC(F)(F)F)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The InChIKey is HPKWHBJNFMTPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4S/c1-8(2)6-14(7-10(11,12)13)19(17,18)5-3-4-9(15)16/h8H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid has a molecular weight of 305.32 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 54876266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).