3,3,5,5-tetrafluoro-4,6-dimethyl-2,6-bis(trifluoromethyl)oxane-2,4-diol

C9H8F10O3 — CID 89153091

IUPAC3,3,5,5-tetrafluoro-4,6-dimethyl-2,6-bis(trifluoromethyl)oxane-2,4-diol
SMILESCC1(O)C(F)(F)C(C)(C(F)(F)F)OC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C9H8F10O3/c1-3(20)5(10,11)4(2,8(14,15)16)22-7(21,6(3,12)13)9(17,18)19/h20-21H,1-2H3
InChIKeyQSFZHTORCYOVFI-UHFFFAOYSA-N
MW354.14 g/mol
LogP2.61
Rot. Bonds

About 3,3,5,5-tetrafluoro-4,6-dimethyl-2,6-bis(trifluoromethyl)oxane-2,4-diol

3,3,5,5-tetrafluoro-4,6-dimethyl-2,6-bis(trifluoromethyl)oxane-2,4-diol (PubChem CID 89153091) has the molecular formula C9H8F10O3 and a molecular weight of 354.14 g/mol. Its IUPAC name is 3,3,5,5-tetrafluoro-4,6-dimethyl-2,6-bis(trifluoromethyl)oxane-2,4-diol.

Molecular Properties

Compound Name3,3,5,5-tetrafluoro-4,6-dimethyl-2,6-bis(trifluoromethyl)oxane-2,4-diol
PubChem CID89153091
Molecular FormulaC9H8F10O3
Molecular Weight354.14 g/mol
Exact Mass354.03
IUPAC Name3,3,5,5-tetrafluoro-4,6-dimethyl-2,6-bis(trifluoromethyl)oxane-2,4-diol
SMILESCC1(O)C(F)(F)C(C)(C(F)(F)F)OC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C9H8F10O3/c1-3(20)5(10,11)4(2,8(14,15)16)22-7(21,6(3,12)13)9(17,18)19/h20-21H,1-2H3
InChIKeyQSFZHTORCYOVFI-UHFFFAOYSA-N
XLogP2.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.14
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol
CID 134222472
[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate
CID 166810413
[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-iodo-2-methylbutanoate
CID 134565476
3,3-difluoro-4,4-dimethyl-2-(trifluoromethyl)oxetan-2-ol;1,1,1,3,3-pentafluoro-4-hydroxy-4-methylpentan-2-one;1,1,1,3,3-pentafluoro-4-methylpentane-2,2,4-triol;hydrate
CID 158221842
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol
CID 139188899
2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane
CID 22090858
2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane
CID 151305254
2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane
CID 58961464
[4-cyclohexyl-2-ethyl-3,3,5,5-tetrafluoro-6-hydroxy-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate
CID 140503278
[2-cyclohexyl-3,3,5,5-tetrafluoro-6-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2-methylbutanoate
CID 140503309
2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol
CID 71403401
[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate
CID 58881422

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetrafluoro-4,6-dimethyl-2,6-bis(trifluoromethyl)oxane-2,4-diol?
The IUPAC name of 3,3,5,5-tetrafluoro-4,6-dimethyl-2,6-bis(trifluoromethyl)oxane-2,4-diol (CID 89153091) is 3,3,5,5-tetrafluoro-4,6-dimethyl-2,6-bis(trifluoromethyl)oxane-2,4-diol.
What is the SMILES notation for 3,3,5,5-tetrafluoro-4,6-dimethyl-2,6-bis(trifluoromethyl)oxane-2,4-diol?
The canonical SMILES for 3,3,5,5-tetrafluoro-4,6-dimethyl-2,6-bis(trifluoromethyl)oxane-2,4-diol is CC1(O)C(F)(F)C(C)(C(F)(F)F)OC(O)(C(F)(F)F)C1(F)F.
What is the InChIKey of 3,3,5,5-tetrafluoro-4,6-dimethyl-2,6-bis(trifluoromethyl)oxane-2,4-diol?
The InChIKey is QSFZHTORCYOVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F10O3/c1-3(20)5(10,11)4(2,8(14,15)16)22-7(21,6(3,12)13)9(17,18)19/h20-21H,1-2H3.
What are the key properties of 3,3,5,5-tetrafluoro-4,6-dimethyl-2,6-bis(trifluoromethyl)oxane-2,4-diol?
3,3,5,5-tetrafluoro-4,6-dimethyl-2,6-bis(trifluoromethyl)oxane-2,4-diol has a molecular weight of 354.14 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetrafluoro-4,6-dimethyl-2,6-bis(trifluoromethyl)oxane-2,4-diol is sourced from PubChem (CID 89153091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).