2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane

C14H23F7O — CID 89135359

IUPAC2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane
SMILESCCCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)(CC)CC
InChIInChI=1S/C14H23F7O/c1-6-9-11(5,15)12(16,13(17,18)19)14(20,21)22-10(4,7-2)8-3/h6-9H2,1-5H3
InChIKeyLESVNHWHCVCWOR-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.97
Rot. Bonds8

About 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane

2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane (PubChem CID 89135359) has the molecular formula C14H23F7O and a molecular weight of 340.32 g/mol. Its IUPAC name is 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane.

Molecular Properties

Compound Name2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane
PubChem CID89135359
Molecular FormulaC14H23F7O
Molecular Weight340.32 g/mol
Exact Mass340.16
IUPAC Name2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane
SMILESCCCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)(CC)CC
InChIInChI=1S/C14H23F7O/c1-6-9-11(5,15)12(16,13(17,18)19)14(20,21)22-10(4,7-2)8-3/h6-9H2,1-5H3
InChIKeyLESVNHWHCVCWOR-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane?
The IUPAC name of 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane (CID 89135359) is 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane.
What is the SMILES notation for 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane?
The canonical SMILES for 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane is CCCC(C)(F)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]-1,1,1,2,3-pentafluoro-3-methylhexane?
The InChIKey is LESVNHWHCVCWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F7O/c1-6-9-11(5,15)12(16,13(17,18)19)14(20,21)22-10(4,7-2)8-3/h6-9H2,1-5H3.
What are the key properties of 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane?
2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane has a molecular weight of 340.32 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane is sourced from PubChem (CID 89135359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).