1,2,2,3-tetrafluoropropane-1,1-diol

C3H4F4O2 — CID 141202021

IUPAC1,2,2,3-tetrafluoropropane-1,1-diol
SMILESOC(O)(F)C(F)(F)CF
InChIInChI=1S/C3H4F4O2/c4-1-2(5,6)3(7,8)9/h8-9H,1H2
InChIKeyBFABQCBJTJEUIW-UHFFFAOYSA-N
MW148.05 g/mol
LogP0.20
Rot. Bonds2

About 1,2,2,3-tetrafluoropropane-1,1-diol

1,2,2,3-tetrafluoropropane-1,1-diol (PubChem CID 141202021) has the molecular formula C3H4F4O2 and a molecular weight of 148.05 g/mol. Its IUPAC name is 1,2,2,3-tetrafluoropropane-1,1-diol.

Molecular Properties

Compound Name1,2,2,3-tetrafluoropropane-1,1-diol
PubChem CID141202021
Molecular FormulaC3H4F4O2
Molecular Weight148.05 g/mol
Exact Mass148.01
IUPAC Name1,2,2,3-tetrafluoropropane-1,1-diol
SMILESOC(O)(F)C(F)(F)CF
InChIInChI=1S/C3H4F4O2/c4-1-2(5,6)3(7,8)9/h8-9H,1H2
InChIKeyBFABQCBJTJEUIW-UHFFFAOYSA-N
XLogP0.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.05
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-Tetrafluoropropan-1-ol
CID 12757724
Tetrafluoro butanediol
CID 87707057
1,1,1,3,3-Pentafluoropropane-2,2-diol
CID 14148856
1,1,3,3-Tetrafluoropropan-1-ol
CID 17763161
1,1,2,2-Tetrafluoropropan-1-ol;1,1,2-trifluoroethanol
CID 17946977
1,2,2,3,4,4-Hexafluorobutane-1,1-diol
CID 18457518
1,1,1,3-Tetrafluoropropane-2,2-diol
CID 57676653
1,1,2,2,3-Pentafluoropropan-1-ol;1,1,1,2,3-pentafluoropropan-2-yl hypofluorite;rutherfordium
CID 60113799
1,1,2,3-Tetrafluoropropan-1-ol
CID 87185312
1,1,1,2,3,3-Hexafluoropropan-2-ol;hydrate
CID 87347981
1,2,2,3,3,4-Hexafluorobutane-1,1-diol
CID 87867427
1,1,2,2-Tetrafluoropropan-1-ol;hydrate
CID 88469439

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetrafluoropropane-1,1-diol?
The IUPAC name of 1,2,2,3-tetrafluoropropane-1,1-diol (CID 141202021) is 1,2,2,3-tetrafluoropropane-1,1-diol.
What is the SMILES notation for 1,2,2,3-tetrafluoropropane-1,1-diol?
The canonical SMILES for 1,2,2,3-tetrafluoropropane-1,1-diol is OC(O)(F)C(F)(F)CF.
What is the InChIKey of 1,2,2,3-tetrafluoropropane-1,1-diol?
The InChIKey is BFABQCBJTJEUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O2/c4-1-2(5,6)3(7,8)9/h8-9H,1H2.
What are the key properties of 1,2,2,3-tetrafluoropropane-1,1-diol?
1,2,2,3-tetrafluoropropane-1,1-diol has a molecular weight of 148.05 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetrafluoropropane-1,1-diol is sourced from PubChem (CID 141202021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).