1,1,2,2,4,4-hexafluoro-1-(1,1,2,2-tetrafluoropropoxy)pentane

C8H8F10O — CID 58731926

IUPAC1,1,2,2,4,4-hexafluoro-1-(1,1,2,2-tetrafluoropropoxy)pentane
SMILESCC(F)(F)CC(F)(F)C(F)(F)OC(F)(F)C(C)(F)F
InChIInChI=1S/C8H8F10O/c1-4(9,10)3-6(13,14)8(17,18)19-7(15,16)5(2,11)12/h3H2,1-2H3
InChIKeyYXDVWCLQWASJAS-UHFFFAOYSA-N
MW310.13 g/mol
LogP4.52
Rot. Bonds6

About 1,1,2,2,4,4-hexafluoro-1-(1,1,2,2-tetrafluoropropoxy)pentane

1,1,2,2,4,4-hexafluoro-1-(1,1,2,2-tetrafluoropropoxy)pentane (PubChem CID 58731926) has the molecular formula C8H8F10O and a molecular weight of 310.13 g/mol. Its IUPAC name is 1,1,2,2,4,4-hexafluoro-1-(1,1,2,2-tetrafluoropropoxy)pentane.

Molecular Properties

Compound Name1,1,2,2,4,4-hexafluoro-1-(1,1,2,2-tetrafluoropropoxy)pentane
PubChem CID58731926
Molecular FormulaC8H8F10O
Molecular Weight310.13 g/mol
Exact Mass310.04
IUPAC Name1,1,2,2,4,4-hexafluoro-1-(1,1,2,2-tetrafluoropropoxy)pentane
SMILESCC(F)(F)CC(F)(F)C(F)(F)OC(F)(F)C(C)(F)F
InChIInChI=1S/C8H8F10O/c1-4(9,10)3-6(13,14)8(17,18)19-7(15,16)5(2,11)12/h3H2,1-2H3
InChIKeyYXDVWCLQWASJAS-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2,3,3,4,4-Nonafluoro-6-propoxyhexane
CID 44480565
1,1,1,2,2,3,3,4,4-Nonafluoro-6-(pentyloxy)hexane
CID 44480566
Decafluoro-di-n-pentylether
CID 11688646
6-Ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane
CID 54330931
1-(2,2,3,3-Tetrafluoropropyloxy)pentane
CID 11229430
2-Fluoro-1-(2,2,2-trifluoroethoxy)hexane
CID 10703268
1,1,1,2,2-Pentafluoro-5-(4,4,5,5,5-pentafluoropentoxy)pentane
CID 11859046
1,1,2,2,3,3,4,4-Octafluoro-5-propoxypentane
CID 12100156
1,1,2,2,3,3,4,4-Octafluoro-5-(2-methylpropoxy)pentane
CID 14595650
1,1,1,2,2,3,3,4,4,5,5-Undecafluoro-5-propoxypentane
CID 18519649
1,1,1,2,2,3,3,4-Octafluoro-4-(3,4,4,5,5,6,6,6-octafluorohexan-3-yloxy)hexane
CID 18934302
5-Ethoxy-1,1,1,2,3,3,4,4-octafluoropentane
CID 19063451

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,4,4-hexafluoro-1-(1,1,2,2-tetrafluoropropoxy)pentane?
The IUPAC name of 1,1,2,2,4,4-hexafluoro-1-(1,1,2,2-tetrafluoropropoxy)pentane (CID 58731926) is 1,1,2,2,4,4-hexafluoro-1-(1,1,2,2-tetrafluoropropoxy)pentane.
What is the SMILES notation for 1,1,2,2,4,4-hexafluoro-1-(1,1,2,2-tetrafluoropropoxy)pentane?
The canonical SMILES for 1,1,2,2,4,4-hexafluoro-1-(1,1,2,2-tetrafluoropropoxy)pentane is CC(F)(F)CC(F)(F)C(F)(F)OC(F)(F)C(C)(F)F.
What is the InChIKey of 1,1,2,2,4,4-hexafluoro-1-(1,1,2,2-tetrafluoropropoxy)pentane?
The InChIKey is YXDVWCLQWASJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F10O/c1-4(9,10)3-6(13,14)8(17,18)19-7(15,16)5(2,11)12/h3H2,1-2H3.
What are the key properties of 1,1,2,2,4,4-hexafluoro-1-(1,1,2,2-tetrafluoropropoxy)pentane?
1,1,2,2,4,4-hexafluoro-1-(1,1,2,2-tetrafluoropropoxy)pentane has a molecular weight of 310.13 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,4,4-hexafluoro-1-(1,1,2,2-tetrafluoropropoxy)pentane is sourced from PubChem (CID 58731926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).