1-(3,3,3-trifluoro-2-hydroxypropyl)azetidin-3-ol

C6H10F3NO2 — CID 63899262

IUPAC1-(3,3,3-trifluoro-2-hydroxypropyl)azetidin-3-ol
SMILESOC1CN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)5(12)3-10-1-4(11)2-10/h4-5,11-12H,1-3H2
InChIKeyQCPNGLSQYUVCPC-UHFFFAOYSA-N
MW185.14 g/mol
LogP-0.41
Rot. Bonds2

About 1-(3,3,3-trifluoro-2-hydroxypropyl)azetidin-3-ol

1-(3,3,3-trifluoro-2-hydroxypropyl)azetidin-3-ol (PubChem CID 63899262) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2-hydroxypropyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2-hydroxypropyl)azetidin-3-ol
PubChem CID63899262
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name1-(3,3,3-trifluoro-2-hydroxypropyl)azetidin-3-ol
SMILESOC1CN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)5(12)3-10-1-4(11)2-10/h4-5,11-12H,1-3H2
InChIKeyQCPNGLSQYUVCPC-UHFFFAOYSA-N
XLogP-0.41
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)azetidin-3-ol?
The IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)azetidin-3-ol (CID 63899262) is 1-(3,3,3-trifluoro-2-hydroxypropyl)azetidin-3-ol.
What is the SMILES notation for 1-(3,3,3-trifluoro-2-hydroxypropyl)azetidin-3-ol?
The canonical SMILES for 1-(3,3,3-trifluoro-2-hydroxypropyl)azetidin-3-ol is OC1CN(CC(O)C(F)(F)F)C1.
What is the InChIKey of 1-(3,3,3-trifluoro-2-hydroxypropyl)azetidin-3-ol?
The InChIKey is QCPNGLSQYUVCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c7-6(8,9)5(12)3-10-1-4(11)2-10/h4-5,11-12H,1-3H2.
What are the key properties of 1-(3,3,3-trifluoro-2-hydroxypropyl)azetidin-3-ol?
1-(3,3,3-trifluoro-2-hydroxypropyl)azetidin-3-ol has a molecular weight of 185.14 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2-hydroxypropyl)azetidin-3-ol is sourced from PubChem (CID 63899262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).