1,1,1,2,5,5,5-heptafluoro-3-methoxy-2-methylpentane

C7H9F7O — CID 161379266

IUPAC1,1,1,2,5,5,5-heptafluoro-3-methoxy-2-methylpentane
SMILESCOC(CC(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C7H9F7O/c1-5(8,7(12,13)14)4(15-2)3-6(9,10)11/h4H,3H2,1-2H3
InChIKeyVRMRLMVNMVAEMO-UHFFFAOYSA-N
MW242.13 g/mol
LogP3.24
Rot. Bonds3

About 1,1,1,2,5,5,5-heptafluoro-3-methoxy-2-methylpentane

1,1,1,2,5,5,5-heptafluoro-3-methoxy-2-methylpentane (PubChem CID 161379266) has the molecular formula C7H9F7O and a molecular weight of 242.13 g/mol. Its IUPAC name is 1,1,1,2,5,5,5-heptafluoro-3-methoxy-2-methylpentane.

Molecular Properties

Compound Name1,1,1,2,5,5,5-heptafluoro-3-methoxy-2-methylpentane
PubChem CID161379266
Molecular FormulaC7H9F7O
Molecular Weight242.13 g/mol
Exact Mass242.05
IUPAC Name1,1,1,2,5,5,5-heptafluoro-3-methoxy-2-methylpentane
SMILESCOC(CC(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C7H9F7O/c1-5(8,7(12,13)14)4(15-2)3-6(9,10)11/h4H,3H2,1-2H3
InChIKeyVRMRLMVNMVAEMO-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,5,5,5-heptafluoro-3-methoxy-2-methylpentane?
The IUPAC name of 1,1,1,2,5,5,5-heptafluoro-3-methoxy-2-methylpentane (CID 161379266) is 1,1,1,2,5,5,5-heptafluoro-3-methoxy-2-methylpentane.
What is the SMILES notation for 1,1,1,2,5,5,5-heptafluoro-3-methoxy-2-methylpentane?
The canonical SMILES for 1,1,1,2,5,5,5-heptafluoro-3-methoxy-2-methylpentane is COC(CC(F)(F)F)C(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,5,5,5-heptafluoro-3-methoxy-2-methylpentane?
The InChIKey is VRMRLMVNMVAEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7O/c1-5(8,7(12,13)14)4(15-2)3-6(9,10)11/h4H,3H2,1-2H3.
What are the key properties of 1,1,1,2,5,5,5-heptafluoro-3-methoxy-2-methylpentane?
1,1,1,2,5,5,5-heptafluoro-3-methoxy-2-methylpentane has a molecular weight of 242.13 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,5,5,5-heptafluoro-3-methoxy-2-methylpentane is sourced from PubChem (CID 161379266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).