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

C10H9F13O — CID 19761970

IUPAC1,1,1,2,2,3,3,5,5,5-decafluoro-4-(2-methylpropoxy)-4-(trifluoromethyl)pentane
SMILESCC(C)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F13O/c1-4(2)3-24-5(8(15,16)17,9(18,19)20)6(11,12)7(13,14)10(21,22)23/h4H,3H2,1-2H3
InChIKeyVYMQRNNKCXOEAC-UHFFFAOYSA-N
MW392.16 g/mol
LogP5.36
Rot. Bonds5

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

1,1,1,2,2,3,3,5,5,5-decafluoro-4-(2-methylpropoxy)-4-(trifluoromethyl)pentane (PubChem CID 19761970) has the molecular formula C10H9F13O and a molecular weight of 392.16 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(2-methylpropoxy)-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,5,5,5-decafluoro-4-(2-methylpropoxy)-4-(trifluoromethyl)pentane
PubChem CID19761970
Molecular FormulaC10H9F13O
Molecular Weight392.16 g/mol
Exact Mass392.04
IUPAC Name1,1,1,2,2,3,3,5,5,5-decafluoro-4-(2-methylpropoxy)-4-(trifluoromethyl)pentane
SMILESCC(C)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F13O/c1-4(2)3-24-5(8(15,16)17,9(18,19)20)6(11,12)7(13,14)10(21,22)23/h4H,3H2,1-2H3
InChIKeyVYMQRNNKCXOEAC-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.16
LogP ≤ 55.36
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 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(2-methylpropoxy)-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(2-methylpropoxy)-4-(trifluoromethyl)pentane (CID 19761970) is 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(2-methylpropoxy)-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(2-methylpropoxy)-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(2-methylpropoxy)-4-(trifluoromethyl)pentane is CC(C)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(2-methylpropoxy)-4-(trifluoromethyl)pentane?
The InChIKey is VYMQRNNKCXOEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F13O/c1-4(2)3-24-5(8(15,16)17,9(18,19)20)6(11,12)7(13,14)10(21,22)23/h4H,3H2,1-2H3.
What are the key properties of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(2-methylpropoxy)-4-(trifluoromethyl)pentane?
1,1,1,2,2,3,3,5,5,5-decafluoro-4-(2-methylpropoxy)-4-(trifluoromethyl)pentane has a molecular weight of 392.16 g/mol, XLogP of 5.36, 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-(2-methylpropoxy)-4-(trifluoromethyl)pentane is sourced from PubChem (CID 19761970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).