1,1,2,2,3,3-hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane

C10H10F12O — CID 23511090

IUPAC1,1,2,2,3,3-hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane
SMILESCCC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)CC
InChIInChI=1S/C10H10F12O/c1-3-5(11,12)7(15,16)9(19,20)23-10(21,22)8(17,18)6(13,14)4-2/h3-4H2,1-2H3
InChIKeyCXYXLEZVDSUZQU-UHFFFAOYSA-N
MW374.17 g/mol
LogP5.55
Rot. Bonds8

About 1,1,2,2,3,3-hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane

1,1,2,2,3,3-hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane (PubChem CID 23511090) has the molecular formula C10H10F12O and a molecular weight of 374.17 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane
PubChem CID23511090
Molecular FormulaC10H10F12O
Molecular Weight374.17 g/mol
Exact Mass374.05
IUPAC Name1,1,2,2,3,3-hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane
SMILESCCC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)CC
InChIInChI=1S/C10H10F12O/c1-3-5(11,12)7(15,16)9(19,20)23-10(21,22)8(17,18)6(13,14)4-2/h3-4H2,1-2H3
InChIKeyCXYXLEZVDSUZQU-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.17
LogP ≤ 55.55
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 1,1,2,2,3,3-hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane (CID 23511090) is 1,1,2,2,3,3-hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane is CCC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)CC.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane?
The InChIKey is CXYXLEZVDSUZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F12O/c1-3-5(11,12)7(15,16)9(19,20)23-10(21,22)8(17,18)6(13,14)4-2/h3-4H2,1-2H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane?
1,1,2,2,3,3-hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane has a molecular weight of 374.17 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane is sourced from PubChem (CID 23511090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).