2,2,3,3-tetrafluoropropoxymethanol

C4H6F4O2 — CID 14595651

IUPAC2,2,3,3-tetrafluoropropoxymethanol
SMILESOCOCC(F)(F)C(F)F
InChIInChI=1S/C4H6F4O2/c5-3(6)4(7,8)1-10-2-9/h3,9H,1-2H2
InChIKeyXJFMYXXNJOSRNB-UHFFFAOYSA-N
MW162.08 g/mol
LogP0.85
Rot. Bonds4

About 2,2,3,3-tetrafluoropropoxymethanol

2,2,3,3-tetrafluoropropoxymethanol (PubChem CID 14595651) has the molecular formula C4H6F4O2 and a molecular weight of 162.08 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropoxymethanol.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropoxymethanol
PubChem CID14595651
Molecular FormulaC4H6F4O2
Molecular Weight162.08 g/mol
Exact Mass162.03
IUPAC Name2,2,3,3-tetrafluoropropoxymethanol
SMILESOCOCC(F)(F)C(F)F
InChIInChI=1S/C4H6F4O2/c5-3(6)4(7,8)1-10-2-9/h3,9H,1-2H2
InChIKeyXJFMYXXNJOSRNB-UHFFFAOYSA-N
XLogP0.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.08
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2,3,3-tetrafluoropropoxymethanol?
The IUPAC name of 2,2,3,3-tetrafluoropropoxymethanol (CID 14595651) is 2,2,3,3-tetrafluoropropoxymethanol.
What is the SMILES notation for 2,2,3,3-tetrafluoropropoxymethanol?
The canonical SMILES for 2,2,3,3-tetrafluoropropoxymethanol is OCOCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropoxymethanol?
The InChIKey is XJFMYXXNJOSRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O2/c5-3(6)4(7,8)1-10-2-9/h3,9H,1-2H2.
What are the key properties of 2,2,3,3-tetrafluoropropoxymethanol?
2,2,3,3-tetrafluoropropoxymethanol has a molecular weight of 162.08 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropoxymethanol is sourced from PubChem (CID 14595651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).