1-(trifluoromethyl)azetidin-3-ol

C4H6F3NO — CID 67353115

IUPAC1-(trifluoromethyl)azetidin-3-ol
SMILESOC1CN(C(F)(F)F)C1
InChIInChI=1S/C4H6F3NO/c5-4(6,7)8-1-3(9)2-8/h3,9H,1-2H2
InChIKeyKIWRULLVWKXOGV-UHFFFAOYSA-N
MW141.09 g/mol
LogP0.18
Rot. Bonds

About 1-(trifluoromethyl)azetidin-3-ol

1-(trifluoromethyl)azetidin-3-ol (PubChem CID 67353115) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is 1-(trifluoromethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(trifluoromethyl)azetidin-3-ol
PubChem CID67353115
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC Name1-(trifluoromethyl)azetidin-3-ol
SMILESOC1CN(C(F)(F)F)C1
InChIInChI=1S/C4H6F3NO/c5-4(6,7)8-1-3(9)2-8/h3,9H,1-2H2
InChIKeyKIWRULLVWKXOGV-UHFFFAOYSA-N
XLogP0.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)azetidin-3-ol?
The IUPAC name of 1-(trifluoromethyl)azetidin-3-ol (CID 67353115) is 1-(trifluoromethyl)azetidin-3-ol.
What is the SMILES notation for 1-(trifluoromethyl)azetidin-3-ol?
The canonical SMILES for 1-(trifluoromethyl)azetidin-3-ol is OC1CN(C(F)(F)F)C1.
What is the InChIKey of 1-(trifluoromethyl)azetidin-3-ol?
The InChIKey is KIWRULLVWKXOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO/c5-4(6,7)8-1-3(9)2-8/h3,9H,1-2H2.
What are the key properties of 1-(trifluoromethyl)azetidin-3-ol?
1-(trifluoromethyl)azetidin-3-ol has a molecular weight of 141.09 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)azetidin-3-ol is sourced from PubChem (CID 67353115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).