1,1,1,2,3,3-hexafluoro-4-[2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane

C10H4F18O — CID 54423555

IUPAC1,1,1,2,3,3-hexafluoro-4-[2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)COCC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F18O/c11-3(12,5(15,7(17,18)19)8(20,21)22)1-29-2-4(13,14)6(16,9(23,24)25)10(26,27)28/h1-2H2
InChIKeyWCMNJPNQKYVCAW-UHFFFAOYSA-N
MW482.11 g/mol
LogP5.94
Rot. Bonds6

About 1,1,1,2,3,3-hexafluoro-4-[2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane

1,1,1,2,3,3-hexafluoro-4-[2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane (PubChem CID 54423555) has the molecular formula C10H4F18O and a molecular weight of 482.11 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-4-[2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-4-[2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane
PubChem CID54423555
Molecular FormulaC10H4F18O
Molecular Weight482.11 g/mol
Exact Mass482.00
IUPAC Name1,1,1,2,3,3-hexafluoro-4-[2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)COCC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F18O/c11-3(12,5(15,7(17,18)19)8(20,21)22)1-29-2-4(13,14)6(16,9(23,24)25)10(26,27)28/h1-2H2
InChIKeyWCMNJPNQKYVCAW-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.11
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-4-[2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-4-[2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane (CID 54423555) is 1,1,1,2,3,3-hexafluoro-4-[2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-4-[2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-4-[2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane is FC(F)(F)C(F)(C(F)(F)F)C(F)(F)COCC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-4-[2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane?
The InChIKey is WCMNJPNQKYVCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F18O/c11-3(12,5(15,7(17,18)19)8(20,21)22)1-29-2-4(13,14)6(16,9(23,24)25)10(26,27)28/h1-2H2.
What are the key properties of 1,1,1,2,3,3-hexafluoro-4-[2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane?
1,1,1,2,3,3-hexafluoro-4-[2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane has a molecular weight of 482.11 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-4-[2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane is sourced from PubChem (CID 54423555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).