1,1,1,2,2-pentafluoro-3-methoxypropane

C4H5F5O — CID 2776015

IUPAC1,1,1,2,2-pentafluoro-3-methoxypropane
SMILESCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5O/c1-10-2-3(5,6)4(7,8)9/h2H2,1H3
InChIKeyZYAMKYAPIQPWQR-UHFFFAOYSA-N
MW164.07 g/mol
LogP1.83
Rot. Bonds2

About 1,1,1,2,2-pentafluoro-3-methoxypropane

1,1,1,2,2-pentafluoro-3-methoxypropane (PubChem CID 2776015) has the molecular formula C4H5F5O and a molecular weight of 164.07 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-3-methoxypropane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-3-methoxypropane
PubChem CID2776015
Molecular FormulaC4H5F5O
Molecular Weight164.07 g/mol
Exact Mass164.03
IUPAC Name1,1,1,2,2-pentafluoro-3-methoxypropane
SMILESCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5O/c1-10-2-3(5,6)4(7,8)9/h2H2,1H3
InChIKeyZYAMKYAPIQPWQR-UHFFFAOYSA-N
XLogP1.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.07
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-3-methoxypropane?
The IUPAC name of 1,1,1,2,2-pentafluoro-3-methoxypropane (CID 2776015) is 1,1,1,2,2-pentafluoro-3-methoxypropane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-3-methoxypropane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-3-methoxypropane is COCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-3-methoxypropane?
The InChIKey is ZYAMKYAPIQPWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5O/c1-10-2-3(5,6)4(7,8)9/h2H2,1H3.
What are the key properties of 1,1,1,2,2-pentafluoro-3-methoxypropane?
1,1,1,2,2-pentafluoro-3-methoxypropane has a molecular weight of 164.07 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-3-methoxypropane is sourced from PubChem (CID 2776015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).