2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol

C14H24F6O2 — CID 89339703

IUPAC2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol
SMILESCCCC(C)(O)C(F)(C(F)(F)F)C(F)(F)OC(C)(CC)CC
InChIInChI=1S/C14H24F6O2/c1-6-9-11(5,21)12(15,13(16,17)18)14(19,20)22-10(4,7-2)8-3/h21H,6-9H2,1-5H3
InChIKeyWOCWEDCJVOYASF-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.00
Rot. Bonds8

About 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol

2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol (PubChem CID 89339703) has the molecular formula C14H24F6O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol.

Molecular Properties

Compound Name2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol
PubChem CID89339703
Molecular FormulaC14H24F6O2
Molecular Weight338.33 g/mol
Exact Mass338.17
IUPAC Name2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol
SMILESCCCC(C)(O)C(F)(C(F)(F)F)C(F)(F)OC(C)(CC)CC
InChIInChI=1S/C14H24F6O2/c1-6-9-11(5,21)12(15,13(16,17)18)14(19,20)22-10(4,7-2)8-3/h21H,6-9H2,1-5H3
InChIKeyWOCWEDCJVOYASF-UHFFFAOYSA-N
XLogP5.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol?
The IUPAC name of 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol (CID 89339703) is 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol.
What is the SMILES notation for 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol?
The canonical SMILES for 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol is CCCC(C)(O)C(F)(C(F)(F)F)C(F)(F)OC(C)(CC)CC.
What is the InChIKey of 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol?
The InChIKey is WOCWEDCJVOYASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F6O2/c1-6-9-11(5,21)12(15,13(16,17)18)14(19,20)22-10(4,7-2)8-3/h21H,6-9H2,1-5H3.
What are the key properties of 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol?
2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol has a molecular weight of 338.33 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2-tetrafluoro-3-methylhexan-3-ol is sourced from PubChem (CID 89339703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).