2-(1,1,2,3,3,3-hexafluoropropoxy)pentane

C8H12F6O — CID 139667083

IUPAC2-(1,1,2,3,3,3-hexafluoropropoxy)pentane
SMILESCCCC(C)OC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H12F6O/c1-3-4-5(2)15-8(13,14)6(9)7(10,11)12/h5-6H,3-4H2,1-2H3
InChIKeyKOWNDELOPVGJNT-UHFFFAOYSA-N
MW238.17 g/mol
LogP3.68
Rot. Bonds5

About 2-(1,1,2,3,3,3-hexafluoropropoxy)pentane

2-(1,1,2,3,3,3-hexafluoropropoxy)pentane (PubChem CID 139667083) has the molecular formula C8H12F6O and a molecular weight of 238.17 g/mol. Its IUPAC name is 2-(1,1,2,3,3,3-hexafluoropropoxy)pentane.

Molecular Properties

Compound Name2-(1,1,2,3,3,3-hexafluoropropoxy)pentane
PubChem CID139667083
Molecular FormulaC8H12F6O
Molecular Weight238.17 g/mol
Exact Mass238.08
IUPAC Name2-(1,1,2,3,3,3-hexafluoropropoxy)pentane
SMILESCCCC(C)OC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H12F6O/c1-3-4-5(2)15-8(13,14)6(9)7(10,11)12/h5-6H,3-4H2,1-2H3
InChIKeyKOWNDELOPVGJNT-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,3,3,3-hexafluoropropoxy)pentane?
The IUPAC name of 2-(1,1,2,3,3,3-hexafluoropropoxy)pentane (CID 139667083) is 2-(1,1,2,3,3,3-hexafluoropropoxy)pentane.
What is the SMILES notation for 2-(1,1,2,3,3,3-hexafluoropropoxy)pentane?
The canonical SMILES for 2-(1,1,2,3,3,3-hexafluoropropoxy)pentane is CCCC(C)OC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,3,3,3-hexafluoropropoxy)pentane?
The InChIKey is KOWNDELOPVGJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O/c1-3-4-5(2)15-8(13,14)6(9)7(10,11)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(1,1,2,3,3,3-hexafluoropropoxy)pentane?
2-(1,1,2,3,3,3-hexafluoropropoxy)pentane has a molecular weight of 238.17 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,3,3,3-hexafluoropropoxy)pentane is sourced from PubChem (CID 139667083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).