1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane

C8H6F12O — CID 71405907

IUPAC1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane
SMILESCC(OC(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H6F12O/c1-2(5(11,12)3(9)6(13,14)15)21-8(19,20)4(10)7(16,17)18/h2-4H,1H3
InChIKeyTZMQCOROQZMJIS-UHFFFAOYSA-N
MW346.11 g/mol
LogP4.42
Rot. Bonds5

About 1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane

1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane (PubChem CID 71405907) has the molecular formula C8H6F12O and a molecular weight of 346.11 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane
PubChem CID71405907
Molecular FormulaC8H6F12O
Molecular Weight346.11 g/mol
Exact Mass346.02
IUPAC Name1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane
SMILESCC(OC(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H6F12O/c1-2(5(11,12)3(9)6(13,14)15)21-8(19,20)4(10)7(16,17)18/h2-4H,1H3
InChIKeyTZMQCOROQZMJIS-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane (CID 71405907) is 1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane is CC(OC(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane?
The InChIKey is TZMQCOROQZMJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12O/c1-2(5(11,12)3(9)6(13,14)15)21-8(19,20)4(10)7(16,17)18/h2-4H,1H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane?
1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane has a molecular weight of 346.11 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane is sourced from PubChem (CID 71405907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).