1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane

C10H6F16O — CID 57254299

IUPAC1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane
SMILESFCC(F)C(OC(C(F)CF)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F16O/c11-1-3(13)5(7(15,16)17,8(18,19)20)27-6(4(14)2-12,9(21,22)23)10(24,25)26/h3-4H,1-2H2
InChIKeyCPEANCYPNKEBQF-UHFFFAOYSA-N
MW446.13 g/mol
LogP5.34
Rot. Bonds6

About 1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane

1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane (PubChem CID 57254299) has the molecular formula C10H6F16O and a molecular weight of 446.13 g/mol. Its IUPAC name is 1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane
PubChem CID57254299
Molecular FormulaC10H6F16O
Molecular Weight446.13 g/mol
Exact Mass446.02
IUPAC Name1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane
SMILESFCC(F)C(OC(C(F)CF)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F16O/c11-1-3(13)5(7(15,16)17,8(18,19)20)27-6(4(14)2-12,9(21,22)23)10(24,25)26/h3-4H,1-2H2
InChIKeyCPEANCYPNKEBQF-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.13
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane?
The IUPAC name of 1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane (CID 57254299) is 1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane.
What is the SMILES notation for 1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane?
The canonical SMILES for 1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane is FCC(F)C(OC(C(F)CF)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane?
The InChIKey is CPEANCYPNKEBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F16O/c11-1-3(13)5(7(15,16)17,8(18,19)20)27-6(4(14)2-12,9(21,22)23)10(24,25)26/h3-4H,1-2H2.
What are the key properties of 1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane?
1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane has a molecular weight of 446.13 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,4-pentafluoro-2-[1,1,1,3,4-pentafluoro-2-(trifluoromethyl)butan-2-yl]oxy-2-(trifluoromethyl)butane is sourced from PubChem (CID 57254299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).