[(2R)-2-(fluoromethyl)azetidin-1-yl] 2,2,2-trifluoroacetate

C6H7F4NO2 — CID 170648442

IUPAC[(2R)-2-(fluoromethyl)azetidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CC[C@@H]1CF)C(F)(F)F
InChIInChI=1S/C6H7F4NO2/c7-3-4-1-2-11(4)13-5(12)6(8,9)10/h4H,1-3H2/t4-/m1/s1
InChIKeyLXRLYPCPCTUAPF-SCSAIBSYSA-N
MW201.12 g/mol
LogP1.05
Rot. Bonds2

About [(2R)-2-(fluoromethyl)azetidin-1-yl] 2,2,2-trifluoroacetate

[(2R)-2-(fluoromethyl)azetidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 170648442) has the molecular formula C6H7F4NO2 and a molecular weight of 201.12 g/mol. Its IUPAC name is [(2R)-2-(fluoromethyl)azetidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2R)-2-(fluoromethyl)azetidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID170648442
Molecular FormulaC6H7F4NO2
Molecular Weight201.12 g/mol
Exact Mass201.04
IUPAC Name[(2R)-2-(fluoromethyl)azetidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CC[C@@H]1CF)C(F)(F)F
InChIInChI=1S/C6H7F4NO2/c7-3-4-1-2-11(4)13-5(12)6(8,9)10/h4H,1-3H2/t4-/m1/s1
InChIKeyLXRLYPCPCTUAPF-SCSAIBSYSA-N
XLogP1.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.12
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(fluoromethyl)azetidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [(2R)-2-(fluoromethyl)azetidin-1-yl] 2,2,2-trifluoroacetate (CID 170648442) is [(2R)-2-(fluoromethyl)azetidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2R)-2-(fluoromethyl)azetidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(2R)-2-(fluoromethyl)azetidin-1-yl] 2,2,2-trifluoroacetate is O=C(ON1CC[C@@H]1CF)C(F)(F)F.
What is the InChIKey of [(2R)-2-(fluoromethyl)azetidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is LXRLYPCPCTUAPF-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H7F4NO2/c7-3-4-1-2-11(4)13-5(12)6(8,9)10/h4H,1-3H2/t4-/m1/s1.
What are the key properties of [(2R)-2-(fluoromethyl)azetidin-1-yl] 2,2,2-trifluoroacetate?
[(2R)-2-(fluoromethyl)azetidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 201.12 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(fluoromethyl)azetidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 170648442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).