1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane

C10F22O — CID 15124846

IUPAC1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(OC(F)(C(F)(F)F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F22O/c11-2(12,3(13,14)8(24,25)26)1(6(18,19)20,7(21,22)23)33-5(17,10(30,31)32)4(15,16)9(27,28)29
InChIKeyUFKWIAHDMXHMTA-UHFFFAOYSA-N
MW554.06 g/mol
LogP7.12
Rot. Bonds5

About 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane

1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane (PubChem CID 15124846) has the molecular formula C10F22O and a molecular weight of 554.06 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane
PubChem CID15124846
Molecular FormulaC10F22O
Molecular Weight554.06 g/mol
Exact Mass553.96
IUPAC Name1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(OC(F)(C(F)(F)F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F22O/c11-2(12,3(13,14)8(24,25)26)1(6(18,19)20,7(21,22)23)33-5(17,10(30,31)32)4(15,16)9(27,28)29
InChIKeyUFKWIAHDMXHMTA-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.06
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane (CID 15124846) is 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane is FC(F)(F)C(F)(F)C(F)(F)C(OC(F)(C(F)(F)F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane?
The InChIKey is UFKWIAHDMXHMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F22O/c11-2(12,3(13,14)8(24,25)26)1(6(18,19)20,7(21,22)23)33-5(17,10(30,31)32)4(15,16)9(27,28)29.
What are the key properties of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane?
1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane has a molecular weight of 554.06 g/mol, XLogP of 7.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane is sourced from PubChem (CID 15124846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).