fluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane

C6H7F9O3 — CID 91353086

IUPACfluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane
SMILESFCC(F)(F)OCOC(F)(F)C(F)(F)F.OCF
InChIInChI=1S/C5H4F8O2.CH3FO/c6-1-3(7,8)14-2-15-5(12,13)4(9,10)11;2-1-3/h1-2H2;3H,1H2
InChIKeyPHNIDEQWIGZFSP-UHFFFAOYSA-N
MW298.10 g/mol
LogP2.60
Rot. Bonds5

About fluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane

fluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane (PubChem CID 91353086) has the molecular formula C6H7F9O3 and a molecular weight of 298.10 g/mol. Its IUPAC name is fluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane.

Molecular Properties

Compound Namefluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane
PubChem CID91353086
Molecular FormulaC6H7F9O3
Molecular Weight298.10 g/mol
Exact Mass298.03
IUPAC Namefluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane
SMILESFCC(F)(F)OCOC(F)(F)C(F)(F)F.OCF
InChIInChI=1S/C5H4F8O2.CH3FO/c6-1-3(7,8)14-2-15-5(12,13)4(9,10)11;2-1-3/h1-2H2;3H,1H2
InChIKeyPHNIDEQWIGZFSP-UHFFFAOYSA-N
XLogP2.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane?
The IUPAC name of fluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane (CID 91353086) is fluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane.
What is the SMILES notation for fluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane?
The canonical SMILES for fluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane is FCC(F)(F)OCOC(F)(F)C(F)(F)F.OCF.
What is the InChIKey of fluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane?
The InChIKey is PHNIDEQWIGZFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O2.CH3FO/c6-1-3(7,8)14-2-15-5(12,13)4(9,10)11;2-1-3/h1-2H2;3H,1H2.
What are the key properties of fluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane?
fluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane has a molecular weight of 298.10 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane is sourced from PubChem (CID 91353086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).