[(1R,2S)-2-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-(4-fluorophenyl)sulfonylcyclopropyl]methanol

C26H19F9O4S — CID 118220810

About [(1R,2S)-2-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-(4-fluorophenyl)sulfonylcyclopropyl]methanol

[(1R,2S)-2-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-(4-fluorophenyl)sulfonylcyclopropyl]methanol (PubChem CID 118220810) has the molecular formula C26H19F9O4S and a molecular weight of 598.48 g/mol. Its IUPAC name is [(1R,2S)-2-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-(4-fluorophenyl)sulfonylcyclopropyl]methanol.

Molecular Properties

• Compound Name: [(1R,2S)-2-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-(4-fluorophenyl)sulfonylcyclopropyl]methanol
• PubChem CID: 118220810
• Molecular Formula: C26H19F9O4S
• Molecular Weight: 598.48 g/mol
• Exact Mass: 598.09
• IUPAC Name: [(1R,2S)-2-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-(4-fluorophenyl)sulfonylcyclopropyl]methanol
• SMILES: O=S(=O)(c1ccc(F)cc1)[C@@]1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)C[C@@H]1CO
• InChI: InChI=1S/C26H19F9O4S/c27-18-8-10-19(11-9-18)40(37,38)23(12-17(23)13-36)15-4-6-16(7-5-15)24(25(30,31)32,26(33,34)35)39-14-20-21(28)2-1-3-22(20)29/h1-11,17,36H,12-14H2/t17-,23-/m1/s1
• InChIKey: UTSGRFIAMLIKRN-UZUQRXQVSA-N
• XLogP: 6.32
• TPSA: 63.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.48
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-(4-fluorophenyl)sulfonylcyclopropyl]methanol?

The IUPAC name of [(1R,2S)-2-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-(4-fluorophenyl)sulfonylcyclopropyl]methanol (CID 118220810) is [(1R,2S)-2-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-(4-fluorophenyl)sulfonylcyclopropyl]methanol.

What is the SMILES notation for [(1R,2S)-2-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-(4-fluorophenyl)sulfonylcyclopropyl]methanol?

The canonical SMILES for [(1R,2S)-2-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-(4-fluorophenyl)sulfonylcyclopropyl]methanol is O=S(=O)(c1ccc(F)cc1)[C@@]1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)C[C@@H]1CO.

What is the InChIKey of [(1R,2S)-2-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-(4-fluorophenyl)sulfonylcyclopropyl]methanol?

The InChIKey is UTSGRFIAMLIKRN-UZUQRXQVSA-N. The full InChI is InChI=1S/C26H19F9O4S/c27-18-8-10-19(11-9-18)40(37,38)23(12-17(23)13-36)15-4-6-16(7-5-15)24(25(30,31)32,26(33,34)35)39-14-20-21(28)2-1-3-22(20)29/h1-11,17,36H,12-14H2/t17-,23-/m1/s1.

What are the key properties of [(1R,2S)-2-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-(4-fluorophenyl)sulfonylcyclopropyl]methanol?

[(1R,2S)-2-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-(4-fluorophenyl)sulfonylcyclopropyl]methanol has a molecular weight of 598.48 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S)-2-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-(4-fluorophenyl)sulfonylcyclopropyl]methanol is sourced from PubChem (CID 118220810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).