1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane

C6H4F10O — CID 57076582

IUPAC1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane
SMILESFC(F)(F)CC(F)(F)OC(F)(F)CC(F)(F)F
InChIInChI=1S/C6H4F10O/c7-3(8,9)1-5(13,14)17-6(15,16)2-4(10,11)12/h1-2H2
InChIKeyLEEHHJCQFUKQTC-UHFFFAOYSA-N
MW282.08 g/mol
LogP4.09
Rot. Bonds4

About 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane

1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane (PubChem CID 57076582) has the molecular formula C6H4F10O and a molecular weight of 282.08 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane
PubChem CID57076582
Molecular FormulaC6H4F10O
Molecular Weight282.08 g/mol
Exact Mass282.01
IUPAC Name1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane
SMILESFC(F)(F)CC(F)(F)OC(F)(F)CC(F)(F)F
InChIInChI=1S/C6H4F10O/c7-3(8,9)1-5(13,14)17-6(15,16)2-4(10,11)12/h1-2H2
InChIKeyLEEHHJCQFUKQTC-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane?
The IUPAC name of 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane (CID 57076582) is 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane?
The canonical SMILES for 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane is FC(F)(F)CC(F)(F)OC(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane?
The InChIKey is LEEHHJCQFUKQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F10O/c7-3(8,9)1-5(13,14)17-6(15,16)2-4(10,11)12/h1-2H2.
What are the key properties of 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane?
1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane has a molecular weight of 282.08 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane is sourced from PubChem (CID 57076582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).