2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine

C24H26F7NO3S — CID 118220792

IUPAC2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H26F7NO3S/c1-32(2)15-16-35-22(23(26,27)28,24(29,30)31)18-7-5-17(6-8-18)21(13-3-4-14-21)36(33,34)20-11-9-19(25)10-12-20/h5-12H,3-4,13-16H2,1-2H3
InChIKeyLXARPKRPJCUYHO-UHFFFAOYSA-N
MW541.53 g/mol
LogP5.97
Rot. Bonds8

About 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine

2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine (PubChem CID 118220792) has the molecular formula C24H26F7NO3S and a molecular weight of 541.53 g/mol. Its IUPAC name is 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine
PubChem CID118220792
Molecular FormulaC24H26F7NO3S
Molecular Weight541.53 g/mol
Exact Mass541.15
IUPAC Name2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H26F7NO3S/c1-32(2)15-16-35-22(23(26,27)28,24(29,30)31)18-7-5-17(6-8-18)21(13-3-4-14-21)36(33,34)20-11-9-19(25)10-12-20/h5-12H,3-4,13-16H2,1-2H3
InChIKeyLXARPKRPJCUYHO-UHFFFAOYSA-N
XLogP5.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.53
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine (CID 118220792) is 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine is CN(C)CCOC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine?
The InChIKey is LXARPKRPJCUYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F7NO3S/c1-32(2)15-16-35-22(23(26,27)28,24(29,30)31)18-7-5-17(6-8-18)21(13-3-4-14-21)36(33,34)20-11-9-19(25)10-12-20/h5-12H,3-4,13-16H2,1-2H3.
What are the key properties of 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine?
2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine has a molecular weight of 541.53 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 118220792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).