3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane

C10H13F9O — CID 87502710

IUPAC3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane
SMILESCCC(OC(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(C)C
InChIInChI=1S/C10H13F9O/c1-4-6(5(2)3)20-10(18,19)7(11,8(12,13)14)9(15,16)17/h5-6H,4H2,1-3H3
InChIKeyMYXKJLSNYWUQGI-UHFFFAOYSA-N
MW320.20 g/mol
LogP4.86
Rot. Bonds5

About 3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane

3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane (PubChem CID 87502710) has the molecular formula C10H13F9O and a molecular weight of 320.20 g/mol. Its IUPAC name is 3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane.

Molecular Properties

Compound Name3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane
PubChem CID87502710
Molecular FormulaC10H13F9O
Molecular Weight320.20 g/mol
Exact Mass320.08
IUPAC Name3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane
SMILESCCC(OC(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(C)C
InChIInChI=1S/C10H13F9O/c1-4-6(5(2)3)20-10(18,19)7(11,8(12,13)14)9(15,16)17/h5-6H,4H2,1-3H3
InChIKeyMYXKJLSNYWUQGI-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane?
The IUPAC name of 3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane (CID 87502710) is 3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane.
What is the SMILES notation for 3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane?
The canonical SMILES for 3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane is CCC(OC(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(C)C.
What is the InChIKey of 3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane?
The InChIKey is MYXKJLSNYWUQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F9O/c1-4-6(5(2)3)20-10(18,19)7(11,8(12,13)14)9(15,16)17/h5-6H,4H2,1-3H3.
What are the key properties of 3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane?
3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane has a molecular weight of 320.20 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane is sourced from PubChem (CID 87502710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).