[1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate

C22H12F10O10S2 — CID 90764571

IUPAC[1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate
SMILESO=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)C(OC(=O)c1cccc2ccccc12)C(F)(F)F)c1ccco1
InChIInChI=1S/C22H12F10O10S2/c23-19(24,25)17(40-15(33)13-8-3-6-11-5-1-2-7-12(11)13)21(29,30)43(35,36)42-44(37,38)22(31,32)18(20(26,27)28)41-16(34)14-9-4-10-39-14/h1-10,17-18H
InChIKeyWOPYXBVXPQRGPT-UHFFFAOYSA-N
MW690.44 g/mol
LogP5.17
Rot. Bonds10

About [1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate

[1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate (PubChem CID 90764571) has the molecular formula C22H12F10O10S2 and a molecular weight of 690.44 g/mol. Its IUPAC name is [1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate
PubChem CID90764571
Molecular FormulaC22H12F10O10S2
Molecular Weight690.44 g/mol
Exact Mass689.97
IUPAC Name[1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate
SMILESO=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)C(OC(=O)c1cccc2ccccc12)C(F)(F)F)c1ccco1
InChIInChI=1S/C22H12F10O10S2/c23-19(24,25)17(40-15(33)13-8-3-6-11-5-1-2-7-12(11)13)21(29,30)43(35,36)42-44(37,38)22(31,32)18(20(26,27)28)41-16(34)14-9-4-10-39-14/h1-10,17-18H
InChIKeyWOPYXBVXPQRGPT-UHFFFAOYSA-N
XLogP5.17
TPSA143.25 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.44
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate with MolForge

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Related Compounds

2-(2-Naphthyl)-2-oxoethyl 2-furoate
CID 902781
2-Naphthylmethyl 2-furoate
CID 976219
[3-(Trifluoromethyl)phenyl]methyl 2-(furan-2-carbonyl)benzoate
CID 57847657
[3,3,4,4-Tetrafluoro-4-[3-(1-phenylocta-3,5-dienyl)phenoxy]sulfonylbutyl] furan-2-carboxylate
CID 91609309
1,1-Difluoro-2-(furan-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate
CID 123343119
1,1,3,3,3-Pentafluoro-2-[8-(2,4,6-triiodophenoxy)carbonylnaphthalene-1-carbonyl]oxypropane-1-sulfonate
CID 140841689
1,1,3,3,3-Pentafluoro-2-(furan-2-ylmethoxy)propane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-naphthalen-2-yloxypropane-1-sulfonic acid
CID 157173735
4-(Cyclohexanecarbonyloxy)-1,1,1-trifluorobutane-2-sulfonate;1,1,2-trifluoro-4-(furan-2-carbonyloxy)butane-1-sulfonate
CID 158883725
[Furan-2-yl(1,2,3,4-tetrahydrochrysen-3-yl)methyl] trifluoromethanesulfonate
CID 175260589
[1-(3,4-Difluorophenyl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
CID 18230073
[2-(2,4-Difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate
CID 24520544
Naphthalen-1-ylmethyl furan-2-carboxylate
CID 926070

Frequently Asked Questions

What is the IUPAC name of [1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate?
The IUPAC name of [1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate (CID 90764571) is [1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate?
The canonical SMILES for [1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate is O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)C(OC(=O)c1cccc2ccccc12)C(F)(F)F)c1ccco1.
What is the InChIKey of [1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate?
The InChIKey is WOPYXBVXPQRGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F10O10S2/c23-19(24,25)17(40-15(33)13-8-3-6-11-5-1-2-7-12(11)13)21(29,30)43(35,36)42-44(37,38)22(31,32)18(20(26,27)28)41-16(34)14-9-4-10-39-14/h1-10,17-18H.
What are the key properties of [1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate?
[1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate has a molecular weight of 690.44 g/mol, XLogP of 5.17, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,3,3-pentafluoro-3-[1,1,3,3,3-pentafluoro-2-(naphthalene-1-carbonyloxy)propyl]sulfonyloxysulfonylpropan-2-yl] furan-2-carboxylate is sourced from PubChem (CID 90764571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).