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

C28H22F10O4S — CID 118220829

IUPAC4-(difluoromethoxy)-1-fluoro-2-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzene
SMILESO=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3cc(OC(F)F)ccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C28H22F10O4S/c29-20-7-10-22(11-8-20)43(39,40)25(13-1-2-14-25)18-3-5-19(6-4-18)26(27(33,34)35,28(36,37)38)41-16-17-15-21(42-24(31)32)9-12-23(17)30/h3-12,15,24H,1-2,13-14,16H2
InChIKeyJUSOLKBPXVHSNU-UHFFFAOYSA-N
MW644.53 g/mol
LogP8.35
Rot. Bonds9

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

4-(difluoromethoxy)-1-fluoro-2-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzene (PubChem CID 118220829) has the molecular formula C28H22F10O4S and a molecular weight of 644.53 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1-fluoro-2-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzene.

Molecular Properties

Compound Name4-(difluoromethoxy)-1-fluoro-2-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzene
PubChem CID118220829
Molecular FormulaC28H22F10O4S
Molecular Weight644.53 g/mol
Exact Mass644.11
IUPAC Name4-(difluoromethoxy)-1-fluoro-2-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzene
SMILESO=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3cc(OC(F)F)ccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C28H22F10O4S/c29-20-7-10-22(11-8-20)43(39,40)25(13-1-2-14-25)18-3-5-19(6-4-18)26(27(33,34)35,28(36,37)38)41-16-17-15-21(42-24(31)32)9-12-23(17)30/h3-12,15,24H,1-2,13-14,16H2
InChIKeyJUSOLKBPXVHSNU-UHFFFAOYSA-N
XLogP8.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.53
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethoxy)-1-fluoro-2-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1-fluoro-2-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzene?
The IUPAC name of 4-(difluoromethoxy)-1-fluoro-2-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzene (CID 118220829) is 4-(difluoromethoxy)-1-fluoro-2-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzene.
What is the SMILES notation for 4-(difluoromethoxy)-1-fluoro-2-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzene?
The canonical SMILES for 4-(difluoromethoxy)-1-fluoro-2-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzene is O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3cc(OC(F)F)ccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1.
What is the InChIKey of 4-(difluoromethoxy)-1-fluoro-2-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzene?
The InChIKey is JUSOLKBPXVHSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F10O4S/c29-20-7-10-22(11-8-20)43(39,40)25(13-1-2-14-25)18-3-5-19(6-4-18)26(27(33,34)35,28(36,37)38)41-16-17-15-21(42-24(31)32)9-12-23(17)30/h3-12,15,24H,1-2,13-14,16H2.
What are the key properties of 4-(difluoromethoxy)-1-fluoro-2-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzene?
4-(difluoromethoxy)-1-fluoro-2-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzene has a molecular weight of 644.53 g/mol, XLogP of 8.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1-fluoro-2-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]benzene is sourced from PubChem (CID 118220829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).