1,2,2,3-tetrafluorobutane-1,1-diol

C4H6F4O2 — CID 87707057

IUPAC1,2,2,3-tetrafluorobutane-1,1-diol
SMILESCC(F)C(F)(F)C(O)(O)F
InChIInChI=1S/C4H6F4O2/c1-2(5)3(6,7)4(8,9)10/h2,9-10H,1H3
InChIKeyUTPYAGUAONTRBN-UHFFFAOYSA-N
MW162.08 g/mol
LogP0.59
Rot. Bonds2

About 1,2,2,3-tetrafluorobutane-1,1-diol

1,2,2,3-tetrafluorobutane-1,1-diol (PubChem CID 87707057) has the molecular formula C4H6F4O2 and a molecular weight of 162.08 g/mol. Its IUPAC name is 1,2,2,3-tetrafluorobutane-1,1-diol.

Molecular Properties

Compound Name1,2,2,3-tetrafluorobutane-1,1-diol
PubChem CID87707057
Molecular FormulaC4H6F4O2
Molecular Weight162.08 g/mol
Exact Mass162.03
IUPAC Name1,2,2,3-tetrafluorobutane-1,1-diol
SMILESCC(F)C(F)(F)C(O)(O)F
InChIInChI=1S/C4H6F4O2/c1-2(5)3(6,7)4(8,9)10/h2,9-10H,1H3
InChIKeyUTPYAGUAONTRBN-UHFFFAOYSA-N
XLogP0.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.08
LogP ≤ 50.59
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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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetrafluorobutane-1,1-diol?
The IUPAC name of 1,2,2,3-tetrafluorobutane-1,1-diol (CID 87707057) is 1,2,2,3-tetrafluorobutane-1,1-diol.
What is the SMILES notation for 1,2,2,3-tetrafluorobutane-1,1-diol?
The canonical SMILES for 1,2,2,3-tetrafluorobutane-1,1-diol is CC(F)C(F)(F)C(O)(O)F.
What is the InChIKey of 1,2,2,3-tetrafluorobutane-1,1-diol?
The InChIKey is UTPYAGUAONTRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O2/c1-2(5)3(6,7)4(8,9)10/h2,9-10H,1H3.
What are the key properties of 1,2,2,3-tetrafluorobutane-1,1-diol?
1,2,2,3-tetrafluorobutane-1,1-diol has a molecular weight of 162.08 g/mol, XLogP of 0.59, 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-tetrafluorobutane-1,1-diol is sourced from PubChem (CID 87707057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).