1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-2-propoxypropane

C7H9F7O2 — CID 21357106

IUPAC1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-2-propoxypropane
SMILESCCCOC(OCF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F7O2/c1-2-3-15-5(16-4-8,6(9,10)11)7(12,13)14/h2-4H2,1H3
InChIKeyGPOKQQRMQRJNQS-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.18
Rot. Bonds5

About 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-2-propoxypropane

1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-2-propoxypropane (PubChem CID 21357106) has the molecular formula C7H9F7O2 and a molecular weight of 258.13 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-2-propoxypropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-2-propoxypropane
PubChem CID21357106
Molecular FormulaC7H9F7O2
Molecular Weight258.13 g/mol
Exact Mass258.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-2-propoxypropane
SMILESCCCOC(OCF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F7O2/c1-2-3-15-5(16-4-8,6(9,10)11)7(12,13)14/h2-4H2,1H3
InChIKeyGPOKQQRMQRJNQS-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-2-propoxypropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-2-propoxypropane (CID 21357106) is 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-2-propoxypropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-2-propoxypropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-2-propoxypropane is CCCOC(OCF)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-2-propoxypropane?
The InChIKey is GPOKQQRMQRJNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7O2/c1-2-3-15-5(16-4-8,6(9,10)11)7(12,13)14/h2-4H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-2-propoxypropane?
1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-2-propoxypropane has a molecular weight of 258.13 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-2-propoxypropane is sourced from PubChem (CID 21357106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).