3-(difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol

C9H12F8O2 — CID 89196346

IUPAC3-(difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol
SMILESCCCC(C)(OC(F)F)C(F)(C(O)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F8O2/c1-3-4-6(2,19-5(10)11)7(12,8(13,14)15)9(16,17)18/h5,18H,3-4H2,1-2H3
InChIKeyFEINLJHYPRJRHH-UHFFFAOYSA-N
MW304.18 g/mol
LogP3.64
Rot. Bonds6

About 3-(difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol

3-(difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol (PubChem CID 89196346) has the molecular formula C9H12F8O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol.

Molecular Properties

Compound Name3-(difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol
PubChem CID89196346
Molecular FormulaC9H12F8O2
Molecular Weight304.18 g/mol
Exact Mass304.07
IUPAC Name3-(difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol
SMILESCCCC(C)(OC(F)F)C(F)(C(O)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F8O2/c1-3-4-6(2,19-5(10)11)7(12,8(13,14)15)9(16,17)18/h5,18H,3-4H2,1-2H3
InChIKeyFEINLJHYPRJRHH-UHFFFAOYSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol?
The IUPAC name of 3-(difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol (CID 89196346) is 3-(difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol.
What is the SMILES notation for 3-(difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol?
The canonical SMILES for 3-(difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol is CCCC(C)(OC(F)F)C(F)(C(O)(F)F)C(F)(F)F.
What is the InChIKey of 3-(difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol?
The InChIKey is FEINLJHYPRJRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F8O2/c1-3-4-6(2,19-5(10)11)7(12,8(13,14)15)9(16,17)18/h5,18H,3-4H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol?
3-(difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol has a molecular weight of 304.18 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)hexan-1-ol is sourced from PubChem (CID 89196346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).