1,1,1,2,3,4,5,5,5-nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane

C9H8F12O — CID 58114553

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane
SMILESCC(C)OC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F12O/c1-3(2)22-6(12,9(19,20)21)4(10)5(11,7(13,14)15)8(16,17)18/h3-4H,1-2H3
InChIKeyVHVJZMSBCYSQPA-UHFFFAOYSA-N
MW360.14 g/mol
LogP4.81
Rot. Bonds4

About 1,1,1,2,3,4,5,5,5-nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane

1,1,1,2,3,4,5,5,5-nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane (PubChem CID 58114553) has the molecular formula C9H8F12O and a molecular weight of 360.14 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane
PubChem CID58114553
Molecular FormulaC9H8F12O
Molecular Weight360.14 g/mol
Exact Mass360.04
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane
SMILESCC(C)OC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F12O/c1-3(2)22-6(12,9(19,20)21)4(10)5(11,7(13,14)15)8(16,17)18/h3-4H,1-2H3
InChIKeyVHVJZMSBCYSQPA-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.14
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane (CID 58114553) is 1,1,1,2,3,4,5,5,5-nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane is CC(C)OC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,5-nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane?
The InChIKey is VHVJZMSBCYSQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F12O/c1-3(2)22-6(12,9(19,20)21)4(10)5(11,7(13,14)15)8(16,17)18/h3-4H,1-2H3.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane?
1,1,1,2,3,4,5,5,5-nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane has a molecular weight of 360.14 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,5,5-nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane is sourced from PubChem (CID 58114553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).