1,1,1,3,3,3-hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol

C12H13F11O — CID 20743870

IUPAC1,1,1,3,3,3-hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol
SMILESCC1C(C)C(F)C(F)(C(O)(C(F)(F)F)C(F)(F)F)C(F)(F)C1CF
InChIInChI=1S/C12H13F11O/c1-4-5(2)7(14)8(15,9(16,17)6(4)3-13)10(24,11(18,19)20)12(21,22)23/h4-7,24H,3H2,1-2H3
InChIKeyXPPJOGPAKMZAMD-UHFFFAOYSA-N
MW382.21 g/mol
LogP4.40
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol (PubChem CID 20743870) has the molecular formula C12H13F11O and a molecular weight of 382.21 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol
PubChem CID20743870
Molecular FormulaC12H13F11O
Molecular Weight382.21 g/mol
Exact Mass382.08
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol
SMILESCC1C(C)C(F)C(F)(C(O)(C(F)(F)F)C(F)(F)F)C(F)(F)C1CF
InChIInChI=1S/C12H13F11O/c1-4-5(2)7(14)8(15,9(16,17)6(4)3-13)10(24,11(18,19)20)12(21,22)23/h4-7,24H,3H2,1-2H3
InChIKeyXPPJOGPAKMZAMD-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol (CID 20743870) is 1,1,1,3,3,3-hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol is CC1C(C)C(F)C(F)(C(O)(C(F)(F)F)C(F)(F)F)C(F)(F)C1CF.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol?
The InChIKey is XPPJOGPAKMZAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F11O/c1-4-5(2)7(14)8(15,9(16,17)6(4)3-13)10(24,11(18,19)20)12(21,22)23/h4-7,24H,3H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol has a molecular weight of 382.21 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol is sourced from PubChem (CID 20743870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).