5-(3,3-difluoro-4-methylpentoxy)-1,1-difluoro-2-methyl-1-propan-2-yloxyhexane

C16H30F4O2 — CID 170360628

IUPAC5-(3,3-difluoro-4-methylpentoxy)-1,1-difluoro-2-methyl-1-propan-2-yloxyhexane
SMILESCC(C)OC(F)(F)C(C)CCC(C)OCCC(F)(F)C(C)C
InChIInChI=1S/C16H30F4O2/c1-11(2)15(17,18)9-10-21-14(6)8-7-13(5)16(19,20)22-12(3)4/h11-14H,7-10H2,1-6H3
InChIKeySZEBEAXMXOTKOB-UHFFFAOYSA-N
MW330.41 g/mol
LogP5.51
Rot. Bonds11

About 5-(3,3-difluoro-4-methylpentoxy)-1,1-difluoro-2-methyl-1-propan-2-yloxyhexane

5-(3,3-difluoro-4-methylpentoxy)-1,1-difluoro-2-methyl-1-propan-2-yloxyhexane (PubChem CID 170360628) has the molecular formula C16H30F4O2 and a molecular weight of 330.41 g/mol. Its IUPAC name is 5-(3,3-difluoro-4-methylpentoxy)-1,1-difluoro-2-methyl-1-propan-2-yloxyhexane.

Molecular Properties

Compound Name5-(3,3-difluoro-4-methylpentoxy)-1,1-difluoro-2-methyl-1-propan-2-yloxyhexane
PubChem CID170360628
Molecular FormulaC16H30F4O2
Molecular Weight330.41 g/mol
Exact Mass330.22
IUPAC Name5-(3,3-difluoro-4-methylpentoxy)-1,1-difluoro-2-methyl-1-propan-2-yloxyhexane
SMILESCC(C)OC(F)(F)C(C)CCC(C)OCCC(F)(F)C(C)C
InChIInChI=1S/C16H30F4O2/c1-11(2)15(17,18)9-10-21-14(6)8-7-13(5)16(19,20)22-12(3)4/h11-14H,7-10H2,1-6H3
InChIKeySZEBEAXMXOTKOB-UHFFFAOYSA-N
XLogP5.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.41
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoro-4-methylpentoxy)-1,1-difluoro-2-methyl-1-propan-2-yloxyhexane?
The IUPAC name of 5-(3,3-difluoro-4-methylpentoxy)-1,1-difluoro-2-methyl-1-propan-2-yloxyhexane (CID 170360628) is 5-(3,3-difluoro-4-methylpentoxy)-1,1-difluoro-2-methyl-1-propan-2-yloxyhexane.
What is the SMILES notation for 5-(3,3-difluoro-4-methylpentoxy)-1,1-difluoro-2-methyl-1-propan-2-yloxyhexane?
The canonical SMILES for 5-(3,3-difluoro-4-methylpentoxy)-1,1-difluoro-2-methyl-1-propan-2-yloxyhexane is CC(C)OC(F)(F)C(C)CCC(C)OCCC(F)(F)C(C)C.
What is the InChIKey of 5-(3,3-difluoro-4-methylpentoxy)-1,1-difluoro-2-methyl-1-propan-2-yloxyhexane?
The InChIKey is SZEBEAXMXOTKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F4O2/c1-11(2)15(17,18)9-10-21-14(6)8-7-13(5)16(19,20)22-12(3)4/h11-14H,7-10H2,1-6H3.
What are the key properties of 5-(3,3-difluoro-4-methylpentoxy)-1,1-difluoro-2-methyl-1-propan-2-yloxyhexane?
5-(3,3-difluoro-4-methylpentoxy)-1,1-difluoro-2-methyl-1-propan-2-yloxyhexane has a molecular weight of 330.41 g/mol, XLogP of 5.51, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoro-4-methylpentoxy)-1,1-difluoro-2-methyl-1-propan-2-yloxyhexane is sourced from PubChem (CID 170360628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).