1,1,1,2,2,3,4,5,5,5-decafluoro-4-methyl-3-(2-methylpropoxy)pentane

C10H12F10O — CID 19761952

IUPAC1,1,1,2,2,3,4,5,5,5-decafluoro-4-methyl-3-(2-methylpropoxy)pentane
SMILESCC(C)COC(F)(C(C)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F10O/c1-5(2)4-21-8(14,6(3,11)9(15,16)17)7(12,13)10(18,19)20/h5H,4H2,1-3H3
InChIKeyPPRXPKLHKIPKSW-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.81
Rot. Bonds5

About 1,1,1,2,2,3,4,5,5,5-decafluoro-4-methyl-3-(2-methylpropoxy)pentane

1,1,1,2,2,3,4,5,5,5-decafluoro-4-methyl-3-(2-methylpropoxy)pentane (PubChem CID 19761952) has the molecular formula C10H12F10O and a molecular weight of 338.19 g/mol. Its IUPAC name is 1,1,1,2,2,3,4,5,5,5-decafluoro-4-methyl-3-(2-methylpropoxy)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,4,5,5,5-decafluoro-4-methyl-3-(2-methylpropoxy)pentane
PubChem CID19761952
Molecular FormulaC10H12F10O
Molecular Weight338.19 g/mol
Exact Mass338.07
IUPAC Name1,1,1,2,2,3,4,5,5,5-decafluoro-4-methyl-3-(2-methylpropoxy)pentane
SMILESCC(C)COC(F)(C(C)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F10O/c1-5(2)4-21-8(14,6(3,11)9(15,16)17)7(12,13)10(18,19)20/h5H,4H2,1-3H3
InChIKeyPPRXPKLHKIPKSW-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,4,5,5,5-decafluoro-4-methyl-3-(2-methylpropoxy)pentane?
The IUPAC name of 1,1,1,2,2,3,4,5,5,5-decafluoro-4-methyl-3-(2-methylpropoxy)pentane (CID 19761952) is 1,1,1,2,2,3,4,5,5,5-decafluoro-4-methyl-3-(2-methylpropoxy)pentane.
What is the SMILES notation for 1,1,1,2,2,3,4,5,5,5-decafluoro-4-methyl-3-(2-methylpropoxy)pentane?
The canonical SMILES for 1,1,1,2,2,3,4,5,5,5-decafluoro-4-methyl-3-(2-methylpropoxy)pentane is CC(C)COC(F)(C(C)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,4,5,5,5-decafluoro-4-methyl-3-(2-methylpropoxy)pentane?
The InChIKey is PPRXPKLHKIPKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F10O/c1-5(2)4-21-8(14,6(3,11)9(15,16)17)7(12,13)10(18,19)20/h5H,4H2,1-3H3.
What are the key properties of 1,1,1,2,2,3,4,5,5,5-decafluoro-4-methyl-3-(2-methylpropoxy)pentane?
1,1,1,2,2,3,4,5,5,5-decafluoro-4-methyl-3-(2-methylpropoxy)pentane has a molecular weight of 338.19 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,4,5,5,5-decafluoro-4-methyl-3-(2-methylpropoxy)pentane is sourced from PubChem (CID 19761952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).