2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane

C12H17F7O2 — CID 59010342

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane
SMILESCCCOC1(C(F)(C(F)(F)F)C(F)(F)F)CCCC(C)O1
InChIInChI=1S/C12H17F7O2/c1-3-7-20-9(6-4-5-8(2)21-9)10(13,11(14,15)16)12(17,18)19/h8H,3-7H2,1-2H3
InChIKeySIYKBJBRWCLKES-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.53
Rot. Bonds4

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane (PubChem CID 59010342) has the molecular formula C12H17F7O2 and a molecular weight of 326.25 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane
PubChem CID59010342
Molecular FormulaC12H17F7O2
Molecular Weight326.25 g/mol
Exact Mass326.11
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane
SMILESCCCOC1(C(F)(C(F)(F)F)C(F)(F)F)CCCC(C)O1
InChIInChI=1S/C12H17F7O2/c1-3-7-20-9(6-4-5-8(2)21-9)10(13,11(14,15)16)12(17,18)19/h8H,3-7H2,1-2H3
InChIKeySIYKBJBRWCLKES-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane (CID 59010342) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane is CCCOC1(C(F)(C(F)(F)F)C(F)(F)F)CCCC(C)O1.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane?
The InChIKey is SIYKBJBRWCLKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F7O2/c1-3-7-20-9(6-4-5-8(2)21-9)10(13,11(14,15)16)12(17,18)19/h8H,3-7H2,1-2H3.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane has a molecular weight of 326.25 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane is sourced from PubChem (CID 59010342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).