3,3,3-trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one

C8H9F6NO2 — CID 103310201

IUPAC3,3,3-trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N1CC(CO)C1
InChIInChI=1S/C8H9F6NO2/c9-7(10,11)5(8(12,13)14)6(17)15-1-4(2-15)3-16/h4-5,16H,1-3H2
InChIKeyPTQGGVVAYVKNTA-UHFFFAOYSA-N
MW265.15 g/mol
LogP1.18
Rot. Bonds2

About 3,3,3-trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one

3,3,3-trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one (PubChem CID 103310201) has the molecular formula C8H9F6NO2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one
PubChem CID103310201
Molecular FormulaC8H9F6NO2
Molecular Weight265.15 g/mol
Exact Mass265.05
IUPAC Name3,3,3-trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N1CC(CO)C1
InChIInChI=1S/C8H9F6NO2/c9-7(10,11)5(8(12,13)14)6(17)15-1-4(2-15)3-16/h4-5,16H,1-3H2
InChIKeyPTQGGVVAYVKNTA-UHFFFAOYSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one (CID 103310201) is 3,3,3-trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one is O=C(C(C(F)(F)F)C(F)(F)F)N1CC(CO)C1.
What is the InChIKey of 3,3,3-trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one?
The InChIKey is PTQGGVVAYVKNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6NO2/c9-7(10,11)5(8(12,13)14)6(17)15-1-4(2-15)3-16/h4-5,16H,1-3H2.
What are the key properties of 3,3,3-trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one?
3,3,3-trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one has a molecular weight of 265.15 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103310201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).