2-[1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentan-2-yl]oxy-1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentane

C20H28F14O — CID 19601935

IUPAC2-[1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentan-2-yl]oxy-1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentane
SMILESFCC(CF)(CF)C(CF)(CF)C(CF)(CF)OC(CF)(CF)C(CF)(CF)C(CF)(CF)CF
InChIInChI=1S/C20H28F14O/c21-1-15(2-22,3-23)17(7-27,8-28)19(11-31,12-32)35-20(13-33,14-34)18(9-29,10-30)16(4-24,5-25)6-26/h1-14H2
InChIKeyWPXINUBVZZRNAL-UHFFFAOYSA-N
MW550.42 g/mol
LogP6.00
Rot. Bonds20

About 2-[1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentan-2-yl]oxy-1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentane

2-[1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentan-2-yl]oxy-1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentane (PubChem CID 19601935) has the molecular formula C20H28F14O and a molecular weight of 550.42 g/mol. Its IUPAC name is 2-[1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentan-2-yl]oxy-1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentane.

Molecular Properties

Compound Name2-[1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentan-2-yl]oxy-1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentane
PubChem CID19601935
Molecular FormulaC20H28F14O
Molecular Weight550.42 g/mol
Exact Mass550.19
IUPAC Name2-[1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentan-2-yl]oxy-1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentane
SMILESFCC(CF)(CF)C(CF)(CF)C(CF)(CF)OC(CF)(CF)C(CF)(CF)C(CF)(CF)CF
InChIInChI=1S/C20H28F14O/c21-1-15(2-22,3-23)17(7-27,8-28)19(11-31,12-32)35-20(13-33,14-34)18(9-29,10-30)16(4-24,5-25)6-26/h1-14H2
InChIKeyWPXINUBVZZRNAL-UHFFFAOYSA-N
XLogP6.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.42
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentan-2-yl]oxy-1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentane?
The IUPAC name of 2-[1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentan-2-yl]oxy-1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentane (CID 19601935) is 2-[1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentan-2-yl]oxy-1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentane.
What is the SMILES notation for 2-[1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentan-2-yl]oxy-1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentane?
The canonical SMILES for 2-[1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentan-2-yl]oxy-1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentane is FCC(CF)(CF)C(CF)(CF)C(CF)(CF)OC(CF)(CF)C(CF)(CF)C(CF)(CF)CF.
What is the InChIKey of 2-[1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentan-2-yl]oxy-1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentane?
The InChIKey is WPXINUBVZZRNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F14O/c21-1-15(2-22,3-23)17(7-27,8-28)19(11-31,12-32)35-20(13-33,14-34)18(9-29,10-30)16(4-24,5-25)6-26/h1-14H2.
What are the key properties of 2-[1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentan-2-yl]oxy-1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentane?
2-[1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentan-2-yl]oxy-1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentane has a molecular weight of 550.42 g/mol, XLogP of 6.00, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentan-2-yl]oxy-1,5-difluoro-2,3,3,4,4-pentakis(fluoromethyl)pentane is sourced from PubChem (CID 19601935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).