[(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone

C31H27F9N2O5S — CID 118217756

IUPAC[(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C31H27F9N2O5S/c32-22-8-10-23(11-9-22)48(44,45)28(12-13-42(19-28)27(43)41-14-16-46-17-15-41)20-4-6-21(7-5-20)29(30(35,36)37,31(38,39)40)47-18-24-25(33)2-1-3-26(24)34/h1-11H,12-19H2/t28-/m0/s1
InChIKeyAVTXZSGXHMLEBX-NDEPHWFRSA-N
MW710.61 g/mol
LogP6.47
Rot. Bonds7

About [(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone

[(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 118217756) has the molecular formula C31H27F9N2O5S and a molecular weight of 710.61 g/mol. Its IUPAC name is [(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID118217756
Molecular FormulaC31H27F9N2O5S
Molecular Weight710.61 g/mol
Exact Mass710.15
IUPAC Name[(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C31H27F9N2O5S/c32-22-8-10-23(11-9-22)48(44,45)28(12-13-42(19-28)27(43)41-14-16-46-17-15-41)20-4-6-21(7-5-20)29(30(35,36)37,31(38,39)40)47-18-24-25(33)2-1-3-26(24)34/h1-11H,12-19H2/t28-/m0/s1
InChIKeyAVTXZSGXHMLEBX-NDEPHWFRSA-N
XLogP6.47
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.61
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone 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 [(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone (CID 118217756) is [(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is AVTXZSGXHMLEBX-NDEPHWFRSA-N. The full InChI is InChI=1S/C31H27F9N2O5S/c32-22-8-10-23(11-9-22)48(44,45)28(12-13-42(19-28)27(43)41-14-16-46-17-15-41)20-4-6-21(7-5-20)29(30(35,36)37,31(38,39)40)47-18-24-25(33)2-1-3-26(24)34/h1-11H,12-19H2/t28-/m0/s1.
What are the key properties of [(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone?
[(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 710.61 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118217756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).