4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane

C11H17F7O — CID 155283672

IUPAC4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane
SMILESCCCCC(CCC)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F7O/c1-3-5-7-8(6-4-2)19-9(12,10(13,14)15)11(16,17)18/h8H,3-7H2,1-2H3
InChIKeyGLQDPXSSEPWEPX-UHFFFAOYSA-N
MW298.24 g/mol
LogP5.15
Rot. Bonds7

About 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane

4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane (PubChem CID 155283672) has the molecular formula C11H17F7O and a molecular weight of 298.24 g/mol. Its IUPAC name is 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane.

Molecular Properties

Compound Name4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane
PubChem CID155283672
Molecular FormulaC11H17F7O
Molecular Weight298.24 g/mol
Exact Mass298.12
IUPAC Name4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane
SMILESCCCCC(CCC)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F7O/c1-3-5-7-8(6-4-2)19-9(12,10(13,14)15)11(16,17)18/h8H,3-7H2,1-2H3
InChIKeyGLQDPXSSEPWEPX-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.24
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-hexadecan-5-yloxyhexadecane
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2-methylhexane;1,1,1-trifluoroethane
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19-[(2-methylpropan-2-yl)oxy]heptatriacontane
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octan-4-yloxy(oxo)stannane
CID 173126397
4-icosan-4-yloxyicosane
CID 87313284
heptan-3-yl 2,2,3,3,3-pentafluoropropanoate
CID 91694672
hexadecan-4-yl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 543578
2-methylhexane;hydrochloride
CID 172797630
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CID 175036803

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane?
The IUPAC name of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane (CID 155283672) is 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane.
What is the SMILES notation for 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane?
The canonical SMILES for 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane is CCCCC(CCC)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane?
The InChIKey is GLQDPXSSEPWEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F7O/c1-3-5-7-8(6-4-2)19-9(12,10(13,14)15)11(16,17)18/h8H,3-7H2,1-2H3.
What are the key properties of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane?
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane has a molecular weight of 298.24 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octane is sourced from PubChem (CID 155283672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).