(2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol

C7H12F3NO — CID 178067160

IUPAC(2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol
SMILESCC[C@@](O)([C@H]1CCN1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-6(12,7(8,9)10)5-3-4-11-5/h5,11-12H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyZLPKJFUHVAVYFC-PHDIDXHHSA-N
MW183.17 g/mol
LogP1.05
Rot. Bonds2

About (2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol

(2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol (PubChem CID 178067160) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is (2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name(2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol
PubChem CID178067160
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name(2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol
SMILESCC[C@@](O)([C@H]1CCN1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-6(12,7(8,9)10)5-3-4-11-5/h5,11-12H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyZLPKJFUHVAVYFC-PHDIDXHHSA-N
XLogP1.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol?
The IUPAC name of (2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol (CID 178067160) is (2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for (2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for (2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol is CC[C@@](O)([C@H]1CCN1)C(F)(F)F.
What is the InChIKey of (2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol?
The InChIKey is ZLPKJFUHVAVYFC-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-2-6(12,7(8,9)10)5-3-4-11-5/h5,11-12H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol?
(2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol has a molecular weight of 183.17 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-azetidin-2-yl]-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 178067160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).