1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene

C29H24F10O5S — CID 118220843

IUPAC1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene
SMILESCOc1cc(OC(F)(F)F)ccc1COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C29H24F10O5S/c1-42-24-16-22(44-29(37,38)39)11-4-18(24)17-43-26(27(31,32)33,28(34,35)36)20-7-5-19(6-8-20)25(14-2-3-15-25)45(40,41)23-12-9-21(30)10-13-23/h4-13,16H,2-3,14-15,17H2,1H3
InChIKeyOGELZQJGUQMBHI-UHFFFAOYSA-N
MW674.55 g/mol
LogP8.51
Rot. Bonds9

About 1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene

1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene (PubChem CID 118220843) has the molecular formula C29H24F10O5S and a molecular weight of 674.55 g/mol. Its IUPAC name is 1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene
PubChem CID118220843
Molecular FormulaC29H24F10O5S
Molecular Weight674.55 g/mol
Exact Mass674.12
IUPAC Name1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene
SMILESCOc1cc(OC(F)(F)F)ccc1COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C29H24F10O5S/c1-42-24-16-22(44-29(37,38)39)11-4-18(24)17-43-26(27(31,32)33,28(34,35)36)20-7-5-19(6-8-20)25(14-2-3-15-25)45(40,41)23-12-9-21(30)10-13-23/h4-13,16H,2-3,14-15,17H2,1H3
InChIKeyOGELZQJGUQMBHI-UHFFFAOYSA-N
XLogP8.51
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.55
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene 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 1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene (CID 118220843) is 1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene is COc1cc(OC(F)(F)F)ccc1COC(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene?
The InChIKey is OGELZQJGUQMBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F10O5S/c1-42-24-16-22(44-29(37,38)39)11-4-18(24)17-43-26(27(31,32)33,28(34,35)36)20-7-5-19(6-8-20)25(14-2-3-15-25)45(40,41)23-12-9-21(30)10-13-23/h4-13,16H,2-3,14-15,17H2,1H3.
What are the key properties of 1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene?
1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene has a molecular weight of 674.55 g/mol, XLogP of 8.51, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-2-methoxy-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 118220843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).