1,1,1,2,3,4,4-heptafluoro-3-methoxy-2-(trifluoromethyl)pentane

C7H6F10O — CID 118909545

IUPAC1,1,1,2,3,4,4-heptafluoro-3-methoxy-2-(trifluoromethyl)pentane
SMILESCOC(F)(C(C)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F10O/c1-3(8,9)5(11,18-2)4(10,6(12,13)14)7(15,16)17/h1-2H3
InChIKeyFVCFEPYDYOJMMG-UHFFFAOYSA-N
MW296.10 g/mol
LogP3.79
Rot. Bonds3

About 1,1,1,2,3,4,4-heptafluoro-3-methoxy-2-(trifluoromethyl)pentane

1,1,1,2,3,4,4-heptafluoro-3-methoxy-2-(trifluoromethyl)pentane (PubChem CID 118909545) has the molecular formula C7H6F10O and a molecular weight of 296.10 g/mol. Its IUPAC name is 1,1,1,2,3,4,4-heptafluoro-3-methoxy-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,3,4,4-heptafluoro-3-methoxy-2-(trifluoromethyl)pentane
PubChem CID118909545
Molecular FormulaC7H6F10O
Molecular Weight296.10 g/mol
Exact Mass296.03
IUPAC Name1,1,1,2,3,4,4-heptafluoro-3-methoxy-2-(trifluoromethyl)pentane
SMILESCOC(F)(C(C)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F10O/c1-3(8,9)5(11,18-2)4(10,6(12,13)14)7(15,16)17/h1-2H3
InChIKeyFVCFEPYDYOJMMG-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,4-heptafluoro-3-methoxy-2-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,3,4,4-heptafluoro-3-methoxy-2-(trifluoromethyl)pentane (CID 118909545) is 1,1,1,2,3,4,4-heptafluoro-3-methoxy-2-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,3,4,4-heptafluoro-3-methoxy-2-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,3,4,4-heptafluoro-3-methoxy-2-(trifluoromethyl)pentane is COC(F)(C(C)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,4-heptafluoro-3-methoxy-2-(trifluoromethyl)pentane?
The InChIKey is FVCFEPYDYOJMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10O/c1-3(8,9)5(11,18-2)4(10,6(12,13)14)7(15,16)17/h1-2H3.
What are the key properties of 1,1,1,2,3,4,4-heptafluoro-3-methoxy-2-(trifluoromethyl)pentane?
1,1,1,2,3,4,4-heptafluoro-3-methoxy-2-(trifluoromethyl)pentane has a molecular weight of 296.10 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,4-heptafluoro-3-methoxy-2-(trifluoromethyl)pentane is sourced from PubChem (CID 118909545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).