1,1,1,2,2-pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane

C10H12F10O — CID 57275164

IUPAC1,1,1,2,2-pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane
SMILESCC(C)(OC(C)(C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F10O/c1-5(2,7(11,12)9(15,16)17)21-6(3,4)8(13,14)10(18,19)20/h1-4H3
InChIKeyUSHSVHMHSRTLDN-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.96
Rot. Bonds4

About 1,1,1,2,2-pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane

1,1,1,2,2-pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane (PubChem CID 57275164) has the molecular formula C10H12F10O and a molecular weight of 338.19 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane
PubChem CID57275164
Molecular FormulaC10H12F10O
Molecular Weight338.19 g/mol
Exact Mass338.07
IUPAC Name1,1,1,2,2-pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane
SMILESCC(C)(OC(C)(C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F10O/c1-5(2,7(11,12)9(15,16)17)21-6(3,4)8(13,14)10(18,19)20/h1-4H3
InChIKeyUSHSVHMHSRTLDN-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane?
The IUPAC name of 1,1,1,2,2-pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane (CID 57275164) is 1,1,1,2,2-pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane is CC(C)(OC(C)(C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane?
The InChIKey is USHSVHMHSRTLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F10O/c1-5(2,7(11,12)9(15,16)17)21-6(3,4)8(13,14)10(18,19)20/h1-4H3.
What are the key properties of 1,1,1,2,2-pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane?
1,1,1,2,2-pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane has a molecular weight of 338.19 g/mol, XLogP of 4.96, 4 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-pentafluoro-3-methyl-3-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxybutane is sourced from PubChem (CID 57275164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).