1,1,2,2,3,3,4,4,5,5-decafluoro-1-pentoxypentane

C10H12F10O — CID 11688646

IUPAC1,1,2,2,3,3,4,4,5,5-decafluoro-1-pentoxypentane
SMILESCCCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H12F10O/c1-2-3-4-5-21-10(19,20)9(17,18)8(15,16)7(13,14)6(11)12/h6H,2-5H2,1H3
InChIKeyRQVZOCYJLSJQTB-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.96
Rot. Bonds9

About 1,1,2,2,3,3,4,4,5,5-decafluoro-1-pentoxypentane

1,1,2,2,3,3,4,4,5,5-decafluoro-1-pentoxypentane (PubChem CID 11688646) has the molecular formula C10H12F10O and a molecular weight of 338.19 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5-decafluoro-1-pentoxypentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5-decafluoro-1-pentoxypentane
PubChem CID11688646
Molecular FormulaC10H12F10O
Molecular Weight338.19 g/mol
Exact Mass338.07
IUPAC Name1,1,2,2,3,3,4,4,5,5-decafluoro-1-pentoxypentane
SMILESCCCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H12F10O/c1-2-3-4-5-21-10(19,20)9(17,18)8(15,16)7(13,14)6(11)12/h6H,2-5H2,1H3
InChIKeyRQVZOCYJLSJQTB-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5-decafluoro-1-pentoxypentane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5-decafluoro-1-pentoxypentane (CID 11688646) is 1,1,2,2,3,3,4,4,5,5-decafluoro-1-pentoxypentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5-decafluoro-1-pentoxypentane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5-decafluoro-1-pentoxypentane is CCCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5-decafluoro-1-pentoxypentane?
The InChIKey is RQVZOCYJLSJQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F10O/c1-2-3-4-5-21-10(19,20)9(17,18)8(15,16)7(13,14)6(11)12/h6H,2-5H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5-decafluoro-1-pentoxypentane?
1,1,2,2,3,3,4,4,5,5-decafluoro-1-pentoxypentane has a molecular weight of 338.19 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5-decafluoro-1-pentoxypentane is sourced from PubChem (CID 11688646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).