2-[1-(2-tert-butyl-3-fluoro-2-hydroxycyclopropyl)-2-methylpropan-2-yl]-4-fluorobicyclo[1.1.0]butan-2-ol

C15H24F2O2 — CID 166728361

IUPAC2-[1-(2-tert-butyl-3-fluoro-2-hydroxycyclopropyl)-2-methylpropan-2-yl]-4-fluorobicyclo[1.1.0]butan-2-ol
SMILESCC(C)(C)C1(O)C(F)C1CC(C)(C)C1(O)C2C(F)C21
InChIInChI=1S/C15H24F2O2/c1-12(2,3)14(18)7(11(14)17)6-13(4,5)15(19)8-9(15)10(8)16/h7-11,18-19H,6H2,1-5H3
InChIKeyKWHJUGDWNHODIW-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.48
Rot. Bonds3

About 2-[1-(2-tert-butyl-3-fluoro-2-hydroxycyclopropyl)-2-methylpropan-2-yl]-4-fluorobicyclo[1.1.0]butan-2-ol

2-[1-(2-tert-butyl-3-fluoro-2-hydroxycyclopropyl)-2-methylpropan-2-yl]-4-fluorobicyclo[1.1.0]butan-2-ol (PubChem CID 166728361) has the molecular formula C15H24F2O2 and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-[1-(2-tert-butyl-3-fluoro-2-hydroxycyclopropyl)-2-methylpropan-2-yl]-4-fluorobicyclo[1.1.0]butan-2-ol.

Molecular Properties

Compound Name2-[1-(2-tert-butyl-3-fluoro-2-hydroxycyclopropyl)-2-methylpropan-2-yl]-4-fluorobicyclo[1.1.0]butan-2-ol
PubChem CID166728361
Molecular FormulaC15H24F2O2
Molecular Weight274.35 g/mol
Exact Mass274.17
IUPAC Name2-[1-(2-tert-butyl-3-fluoro-2-hydroxycyclopropyl)-2-methylpropan-2-yl]-4-fluorobicyclo[1.1.0]butan-2-ol
SMILESCC(C)(C)C1(O)C(F)C1CC(C)(C)C1(O)C2C(F)C21
InChIInChI=1S/C15H24F2O2/c1-12(2,3)14(18)7(11(14)17)6-13(4,5)15(19)8-9(15)10(8)16/h7-11,18-19H,6H2,1-5H3
InChIKeyKWHJUGDWNHODIW-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-tert-butyl-3-fluoro-2-hydroxycyclopropyl)-2-methylpropan-2-yl]-4-fluorobicyclo[1.1.0]butan-2-ol?
The IUPAC name of 2-[1-(2-tert-butyl-3-fluoro-2-hydroxycyclopropyl)-2-methylpropan-2-yl]-4-fluorobicyclo[1.1.0]butan-2-ol (CID 166728361) is 2-[1-(2-tert-butyl-3-fluoro-2-hydroxycyclopropyl)-2-methylpropan-2-yl]-4-fluorobicyclo[1.1.0]butan-2-ol.
What is the SMILES notation for 2-[1-(2-tert-butyl-3-fluoro-2-hydroxycyclopropyl)-2-methylpropan-2-yl]-4-fluorobicyclo[1.1.0]butan-2-ol?
The canonical SMILES for 2-[1-(2-tert-butyl-3-fluoro-2-hydroxycyclopropyl)-2-methylpropan-2-yl]-4-fluorobicyclo[1.1.0]butan-2-ol is CC(C)(C)C1(O)C(F)C1CC(C)(C)C1(O)C2C(F)C21.
What is the InChIKey of 2-[1-(2-tert-butyl-3-fluoro-2-hydroxycyclopropyl)-2-methylpropan-2-yl]-4-fluorobicyclo[1.1.0]butan-2-ol?
The InChIKey is KWHJUGDWNHODIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O2/c1-12(2,3)14(18)7(11(14)17)6-13(4,5)15(19)8-9(15)10(8)16/h7-11,18-19H,6H2,1-5H3.
What are the key properties of 2-[1-(2-tert-butyl-3-fluoro-2-hydroxycyclopropyl)-2-methylpropan-2-yl]-4-fluorobicyclo[1.1.0]butan-2-ol?
2-[1-(2-tert-butyl-3-fluoro-2-hydroxycyclopropyl)-2-methylpropan-2-yl]-4-fluorobicyclo[1.1.0]butan-2-ol has a molecular weight of 274.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-tert-butyl-3-fluoro-2-hydroxycyclopropyl)-2-methylpropan-2-yl]-4-fluorobicyclo[1.1.0]butan-2-ol is sourced from PubChem (CID 166728361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).