2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol

C7H8F4O — CID 90391994

IUPAC2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol
SMILESOC(CF)(C1C2CC21)C(F)(F)F
InChIInChI=1S/C7H8F4O/c8-2-6(12,7(9,10)11)5-3-1-4(3)5/h3-5,12H,1-2H2
InChIKeyJSGAYGCFOPENJY-UHFFFAOYSA-N
MW184.13 g/mol
LogP1.52
Rot. Bonds2

About 2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol

2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol (PubChem CID 90391994) has the molecular formula C7H8F4O and a molecular weight of 184.13 g/mol. Its IUPAC name is 2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol.

Molecular Properties

Compound Name2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol
PubChem CID90391994
Molecular FormulaC7H8F4O
Molecular Weight184.13 g/mol
Exact Mass184.05
IUPAC Name2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol
SMILESOC(CF)(C1C2CC21)C(F)(F)F
InChIInChI=1S/C7H8F4O/c8-2-6(12,7(9,10)11)5-3-1-4(3)5/h3-5,12H,1-2H2
InChIKeyJSGAYGCFOPENJY-UHFFFAOYSA-N
XLogP1.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol?
The IUPAC name of 2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol (CID 90391994) is 2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol.
What is the SMILES notation for 2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol?
The canonical SMILES for 2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol is OC(CF)(C1C2CC21)C(F)(F)F.
What is the InChIKey of 2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol?
The InChIKey is JSGAYGCFOPENJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4O/c8-2-6(12,7(9,10)11)5-3-1-4(3)5/h3-5,12H,1-2H2.
What are the key properties of 2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol?
2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol has a molecular weight of 184.13 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol is sourced from PubChem (CID 90391994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).