1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane

C13H4F22O2 — CID 155670552

IUPAC1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane
SMILESFC(F)(F)C(OC1(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CCC(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H4F22O2/c14-3(15)1-2-4(7(3,16)17,36-5(8(18,19)20,9(21,22)23)10(24,25)26)37-6(11(27,28)29,12(30,31)32)13(33,34)35/h1-2H2
InChIKeyQSGBYMNCUWOUAS-UHFFFAOYSA-N
MW610.13 g/mol
LogP7.63
Rot. Bonds4

About 1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane

1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane (PubChem CID 155670552) has the molecular formula C13H4F22O2 and a molecular weight of 610.13 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane
PubChem CID155670552
Molecular FormulaC13H4F22O2
Molecular Weight610.13 g/mol
Exact Mass609.99
IUPAC Name1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane
SMILESFC(F)(F)C(OC1(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CCC(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H4F22O2/c14-3(15)1-2-4(7(3,16)17,36-5(8(18,19)20,9(21,22)23)10(24,25)26)37-6(11(27,28)29,12(30,31)32)13(33,34)35/h1-2H2
InChIKeyQSGBYMNCUWOUAS-UHFFFAOYSA-N
XLogP7.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.13
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene
CID 155670558
4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,1-dimethylcyclohexane
CID 146271582
O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine
CID 138604570
1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 175593131
[1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite
CID 23235134
2-tert-butyl-3,3-difluoro-2-methylpyrrolidine
CID 83855284
7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride
CID 155896929
6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane
CID 170907246
1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane
CID 134374502
3-ethyl-1,1,2-trifluoro-2-(trifluoromethoxy)cyclopentane
CID 173379705
3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene
CID 155670544
3a,6a-difluoro-1,2,3,4,5,6-hexahydropentalene
CID 175896210

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane?
The IUPAC name of 1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane (CID 155670552) is 1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane?
The canonical SMILES for 1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane is FC(F)(F)C(OC1(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CCC(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane?
The InChIKey is QSGBYMNCUWOUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4F22O2/c14-3(15)1-2-4(7(3,16)17,36-5(8(18,19)20,9(21,22)23)10(24,25)26)37-6(11(27,28)29,12(30,31)32)13(33,34)35/h1-2H2.
What are the key properties of 1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane?
1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane has a molecular weight of 610.13 g/mol, XLogP of 7.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane is sourced from PubChem (CID 155670552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).