2,2,3,3-tetrafluoropropan-1-ol;hydrate

C3H6F4O2 — CID 141297576

IUPAC2,2,3,3-tetrafluoropropan-1-ol;hydrate
SMILESO.OCC(F)(F)C(F)F
InChIInChI=1S/C3H4F4O.H2O/c4-2(5)3(6,7)1-8;/h2,8H,1H2;1H2
InChIKeyFFYWRBXTQWXNJZ-UHFFFAOYSA-N
MW150.07 g/mol
LogP0.05
Rot. Bonds2

About 2,2,3,3-tetrafluoropropan-1-ol;hydrate

2,2,3,3-tetrafluoropropan-1-ol;hydrate (PubChem CID 141297576) has the molecular formula C3H6F4O2 and a molecular weight of 150.07 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropan-1-ol;hydrate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropan-1-ol;hydrate
PubChem CID141297576
Molecular FormulaC3H6F4O2
Molecular Weight150.07 g/mol
Exact Mass150.03
IUPAC Name2,2,3,3-tetrafluoropropan-1-ol;hydrate
SMILESO.OCC(F)(F)C(F)F
InChIInChI=1S/C3H4F4O.H2O/c4-2(5)3(6,7)1-8;/h2,8H,1H2;1H2
InChIKeyFFYWRBXTQWXNJZ-UHFFFAOYSA-N
XLogP0.05
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 50.05
H-Bond Donors ≤ 51
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 2,2,3,3-tetrafluoropropan-1-ol;hydrate?
The IUPAC name of 2,2,3,3-tetrafluoropropan-1-ol;hydrate (CID 141297576) is 2,2,3,3-tetrafluoropropan-1-ol;hydrate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropan-1-ol;hydrate?
The canonical SMILES for 2,2,3,3-tetrafluoropropan-1-ol;hydrate is O.OCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropan-1-ol;hydrate?
The InChIKey is FFYWRBXTQWXNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O.H2O/c4-2(5)3(6,7)1-8;/h2,8H,1H2;1H2.
What are the key properties of 2,2,3,3-tetrafluoropropan-1-ol;hydrate?
2,2,3,3-tetrafluoropropan-1-ol;hydrate has a molecular weight of 150.07 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropan-1-ol;hydrate is sourced from PubChem (CID 141297576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).