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

C13H14F10O3 — CID 89153098

IUPAC4-cyclohexyl-3,3,5,5-tetrafluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol
SMILESOC1(C(F)(F)F)OC(C(F)(F)F)C(F)(F)C(O)(C2CCCCC2)C1(F)F
InChIInChI=1S/C13H14F10O3/c14-9(15)7(10(16,17)18)26-12(25,13(21,22)23)11(19,20)8(9,24)6-4-2-1-3-5-6/h6-7,24-25H,1-5H2
InChIKeyLEFBLTWFMRFZNH-UHFFFAOYSA-N
MW408.23 g/mol
LogP3.78
Rot. Bonds1

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

4-cyclohexyl-3,3,5,5-tetrafluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol (PubChem CID 89153098) has the molecular formula C13H14F10O3 and a molecular weight of 408.23 g/mol. Its IUPAC name is 4-cyclohexyl-3,3,5,5-tetrafluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol.

Molecular Properties

Compound Name4-cyclohexyl-3,3,5,5-tetrafluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol
PubChem CID89153098
Molecular FormulaC13H14F10O3
Molecular Weight408.23 g/mol
Exact Mass408.08
IUPAC Name4-cyclohexyl-3,3,5,5-tetrafluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol
SMILESOC1(C(F)(F)F)OC(C(F)(F)F)C(F)(F)C(O)(C2CCCCC2)C1(F)F
InChIInChI=1S/C13H14F10O3/c14-9(15)7(10(16,17)18)26-12(25,13(21,22)23)11(19,20)8(9,24)6-4-2-1-3-5-6/h6-7,24-25H,1-5H2
InChIKeyLEFBLTWFMRFZNH-UHFFFAOYSA-N
XLogP3.78
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.23
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-cyclohexyl-3,3,5,5-tetrafluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol with MolForge

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Related Compounds

[4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3,5,5-tetrafluoro-4-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-(trifluoromethyl)prop-2-enoate
CID 90930060
[4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-methyl-2-(trifluoromethyl)butanoate;[6-cyclohexyl-4-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-methyl-2-(trifluoromethyl)butanoate;[4-cyclohexyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-methyl-2-(trifluoromethyl)butanoate;[4-cyclohexyl-3,3,5,5-tetrafluoro-4-hydroxy-6-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-methyl-2-(trifluoromethyl)butanoate;[4,6-dicyclohexyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-methyl-2-(trifluoromethyl)butanoate;[4,6-diethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-methyl-2-(trifluoromethyl)butanoate
CID 157197658
1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol
CID 82927882
[2-cyclohexyl-3,3,5,5-tetrafluoro-6-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2-methylbutanoate
CID 140503309
[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-2,4,6-tris(trifluoromethyl)oxan-4-yl] 2-(trifluoromethyl)prop-2-enoate
CID 89153217
[4-cyclohexyl-6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-methylbutanoate;[4-cyclohexyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-methylbutanoate;[4-cyclohexyl-3,3,5,5-tetrafluoro-4-hydroxy-6-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2-methylbutanoate;[6-cyclohexyl-3,3,5,5-tetrafluoro-4-hydroxy-2,4,6-tris(trifluoromethyl)oxan-2-yl] 2-methylbutanoate;[4,6-dicyclohexyl-3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2-methylbutanoate;[6-ethyl-3,3,5,5-tetrafluoro-4-hydroxy-2,4,6-tris(trifluoromethyl)oxan-2-yl] 2-methylbutanoate;[3,3,5,5-tetrafluoro-4-hydroxy-2,6-bis(trifluoromethyl)oxan-2-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-4-hydroxy-6-methyl-2,6-bis(trifluoromethyl)oxan-2-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-4-hydroxy-6-methyl-2,4,6-tris(trifluoromethyl)oxan-2-yl] 2-methylbutanoate;[3,3,5,5-tetrafluoro-4-hydroxy-2,4,6-tris(trifluoromethyl)oxan-2-yl] 2-methylbutanoate
CID 162049168
6-cyclohexyl-3,3-difluoro-2,4,6-tris(trifluoromethyl)oxane-2,4-diol;4-cyclohexyl-6-ethyl-3,3-difluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol;4,6-dicyclohexyl-3,3-difluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol;3,3-difluoro-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol;3,3-difluoro-2,4,6-tris(trifluoromethyl)oxane-2,4-diol;6-ethyl-3,3-difluoro-2,4,6-tris(trifluoromethyl)oxane-2,4-diol
CID 161042521
(1R,6R)-10-(trifluoromethyl)-8-azabicyclo[4.3.1]decan-10-ol
CID 98113046
1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol
CID 152741278
[6-cyclohexyl-3,3-difluoro-2-hydroxy-4-methyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2-(trifluoromethyl)prop-2-enoate;[3,3-difluoro-2-hydroxy-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2-(trifluoromethyl)prop-2-enoate
CID 90946029
[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)-5,6,7,7a-tetrahydro-4H-1-benzofuran-3a-yl] 2-methylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2-methylbutanoate
CID 91079597

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3,3,5,5-tetrafluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol?
The IUPAC name of 4-cyclohexyl-3,3,5,5-tetrafluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol (CID 89153098) is 4-cyclohexyl-3,3,5,5-tetrafluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol.
What is the SMILES notation for 4-cyclohexyl-3,3,5,5-tetrafluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol?
The canonical SMILES for 4-cyclohexyl-3,3,5,5-tetrafluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol is OC1(C(F)(F)F)OC(C(F)(F)F)C(F)(F)C(O)(C2CCCCC2)C1(F)F.
What is the InChIKey of 4-cyclohexyl-3,3,5,5-tetrafluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol?
The InChIKey is LEFBLTWFMRFZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F10O3/c14-9(15)7(10(16,17)18)26-12(25,13(21,22)23)11(19,20)8(9,24)6-4-2-1-3-5-6/h6-7,24-25H,1-5H2.
What are the key properties of 4-cyclohexyl-3,3,5,5-tetrafluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol?
4-cyclohexyl-3,3,5,5-tetrafluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol has a molecular weight of 408.23 g/mol, XLogP of 3.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3,3,5,5-tetrafluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol is sourced from PubChem (CID 89153098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).