1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-propoxypentane

C10H13F9O — CID 23042180

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-propoxypentane
SMILESCCCOC(F)(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C10H13F9O/c1-4-5-20-8(13,6(2,11)9(14,15)16)7(3,12)10(17,18)19/h4-5H2,1-3H3
InChIKeyUJLYMLDVOZGFGN-UHFFFAOYSA-N
MW320.20 g/mol
LogP4.66
Rot. Bonds5

About 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-propoxypentane

1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-propoxypentane (PubChem CID 23042180) has the molecular formula C10H13F9O and a molecular weight of 320.20 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-propoxypentane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-propoxypentane
PubChem CID23042180
Molecular FormulaC10H13F9O
Molecular Weight320.20 g/mol
Exact Mass320.08
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-propoxypentane
SMILESCCCOC(F)(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C10H13F9O/c1-4-5-20-8(13,6(2,11)9(14,15)16)7(3,12)10(17,18)19/h4-5H2,1-3H3
InChIKeyUJLYMLDVOZGFGN-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-propoxypentane?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-propoxypentane (CID 23042180) is 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-propoxypentane.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-propoxypentane?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-propoxypentane is CCCOC(F)(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-propoxypentane?
The InChIKey is UJLYMLDVOZGFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F9O/c1-4-5-20-8(13,6(2,11)9(14,15)16)7(3,12)10(17,18)19/h4-5H2,1-3H3.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-propoxypentane?
1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-propoxypentane has a molecular weight of 320.20 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethyl-3-propoxypentane is sourced from PubChem (CID 23042180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).