1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane

C7H5F11O — CID 11623808

IUPAC1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane
SMILESFC(C(F)(F)F)C(F)(F)OCC(F)(F)CC(F)(F)F
InChIInChI=1S/C7H5F11O/c8-3(6(14,15)16)7(17,18)19-2-4(9,10)1-5(11,12)13/h3H,1-2H2
InChIKeyPZYDNKBYYBYRCP-UHFFFAOYSA-N
MW314.09 g/mol
LogP4.08
Rot. Bonds5

About 1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane

1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane (PubChem CID 11623808) has the molecular formula C7H5F11O and a molecular weight of 314.09 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane
PubChem CID11623808
Molecular FormulaC7H5F11O
Molecular Weight314.09 g/mol
Exact Mass314.02
IUPAC Name1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane
SMILESFC(C(F)(F)F)C(F)(F)OCC(F)(F)CC(F)(F)F
InChIInChI=1S/C7H5F11O/c8-3(6(14,15)16)7(17,18)19-2-4(9,10)1-5(11,12)13/h3H,1-2H2
InChIKeyPZYDNKBYYBYRCP-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.09
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane
CID 97291102
(2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane
CID 98454452
(2R)-1,1,1,2,3,3-hexafluoro-4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]butane
CID 98454448
1,1,1,2,3,3-hexafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane
CID 175373278
1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane
CID 44599462
1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane
CID 171776185
2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane
CID 86205974
1,3-bis(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane
CID 15155951
1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane
CID 89114469
1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane
CID 150967738
3-(1,1,2,3,3,3-hexafluoropropoxymethyl)-3-methyloxetane
CID 11172786
1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropylperoxy)propan-2-yl]oxypropan-2-yl]oxy-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propane;1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]-3-[1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)propan-2-yl]oxypropane
CID 159598807

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane?
The IUPAC name of 1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane (CID 11623808) is 1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane?
The canonical SMILES for 1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane is FC(C(F)(F)F)C(F)(F)OCC(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane?
The InChIKey is PZYDNKBYYBYRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F11O/c8-3(6(14,15)16)7(17,18)19-2-4(9,10)1-5(11,12)13/h3H,1-2H2.
What are the key properties of 1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane?
1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane has a molecular weight of 314.09 g/mol, XLogP of 4.08, 5 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-4-(1,1,2,3,3,3-hexafluoropropoxy)butane is sourced from PubChem (CID 11623808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).