(1,2,2,2-tetrafluoro-1-hydroxyethyl) hydrogen carbonate

C3H2F4O4 — CID 175891951

IUPAC(1,2,2,2-tetrafluoro-1-hydroxyethyl) hydrogen carbonate
SMILESO=C(O)OC(O)(F)C(F)(F)F
InChIInChI=1S/C3H2F4O4/c4-2(5,6)3(7,10)11-1(8)9/h10H,(H,8,9)
InChIKeyHPNHPDLWSQAEOF-UHFFFAOYSA-N
MW178.04 g/mol
LogP0.86
Rot. Bonds1

About (1,2,2,2-tetrafluoro-1-hydroxyethyl) hydrogen carbonate

(1,2,2,2-tetrafluoro-1-hydroxyethyl) hydrogen carbonate (PubChem CID 175891951) has the molecular formula C3H2F4O4 and a molecular weight of 178.04 g/mol. Its IUPAC name is (1,2,2,2-tetrafluoro-1-hydroxyethyl) hydrogen carbonate.

Molecular Properties

Compound Name(1,2,2,2-tetrafluoro-1-hydroxyethyl) hydrogen carbonate
PubChem CID175891951
Molecular FormulaC3H2F4O4
Molecular Weight178.04 g/mol
Exact Mass177.99
IUPAC Name(1,2,2,2-tetrafluoro-1-hydroxyethyl) hydrogen carbonate
SMILESO=C(O)OC(O)(F)C(F)(F)F
InChIInChI=1S/C3H2F4O4/c4-2(5,6)3(7,10)11-1(8)9/h10H,(H,8,9)
InChIKeyHPNHPDLWSQAEOF-UHFFFAOYSA-N
XLogP0.86
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.04
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (1,2,2,2-tetrafluoro-1-hydroxyethyl) hydrogen carbonate?
The IUPAC name of (1,2,2,2-tetrafluoro-1-hydroxyethyl) hydrogen carbonate (CID 175891951) is (1,2,2,2-tetrafluoro-1-hydroxyethyl) hydrogen carbonate.
What is the SMILES notation for (1,2,2,2-tetrafluoro-1-hydroxyethyl) hydrogen carbonate?
The canonical SMILES for (1,2,2,2-tetrafluoro-1-hydroxyethyl) hydrogen carbonate is O=C(O)OC(O)(F)C(F)(F)F.
What is the InChIKey of (1,2,2,2-tetrafluoro-1-hydroxyethyl) hydrogen carbonate?
The InChIKey is HPNHPDLWSQAEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4O4/c4-2(5,6)3(7,10)11-1(8)9/h10H,(H,8,9).
What are the key properties of (1,2,2,2-tetrafluoro-1-hydroxyethyl) hydrogen carbonate?
(1,2,2,2-tetrafluoro-1-hydroxyethyl) hydrogen carbonate has a molecular weight of 178.04 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,2-tetrafluoro-1-hydroxyethyl) hydrogen carbonate is sourced from PubChem (CID 175891951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).