1,1,1,3,4-pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane

C7H9F7O — CID 59203904

IUPAC1,1,1,3,4-pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane
SMILESCC(F)C(F)(OCF)C(CF)C(F)(F)F
InChIInChI=1S/C7H9F7O/c1-4(10)6(11,15-3-9)5(2-8)7(12,13)14/h4-5H,2-3H2,1H3
InChIKeyUACOKYOWQABMHO-UHFFFAOYSA-N
MW242.13 g/mol
LogP3.10
Rot. Bonds5

About 1,1,1,3,4-pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane

1,1,1,3,4-pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane (PubChem CID 59203904) has the molecular formula C7H9F7O and a molecular weight of 242.13 g/mol. Its IUPAC name is 1,1,1,3,4-pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,3,4-pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane
PubChem CID59203904
Molecular FormulaC7H9F7O
Molecular Weight242.13 g/mol
Exact Mass242.05
IUPAC Name1,1,1,3,4-pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane
SMILESCC(F)C(F)(OCF)C(CF)C(F)(F)F
InChIInChI=1S/C7H9F7O/c1-4(10)6(11,15-3-9)5(2-8)7(12,13)14/h4-5H,2-3H2,1H3
InChIKeyUACOKYOWQABMHO-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,4-pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane?
The IUPAC name of 1,1,1,3,4-pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane (CID 59203904) is 1,1,1,3,4-pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane.
What is the SMILES notation for 1,1,1,3,4-pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane?
The canonical SMILES for 1,1,1,3,4-pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane is CC(F)C(F)(OCF)C(CF)C(F)(F)F.
What is the InChIKey of 1,1,1,3,4-pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane?
The InChIKey is UACOKYOWQABMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7O/c1-4(10)6(11,15-3-9)5(2-8)7(12,13)14/h4-5H,2-3H2,1H3.
What are the key properties of 1,1,1,3,4-pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane?
1,1,1,3,4-pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane has a molecular weight of 242.13 g/mol, XLogP of 3.10, 5 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-3-(fluoromethoxy)-2-(fluoromethyl)pentane is sourced from PubChem (CID 59203904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).