methyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate

C7H11F3N2O2 — CID 71289295

IUPACmethyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate
SMILESCOC(=O)NC1CN(CC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O2/c1-14-6(13)11-5-2-12(3-5)4-7(8,9)10/h5H,2-4H2,1H3,(H,11,13)
InChIKeyHOSAICKQMFTZDN-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.59
Rot. Bonds2

About methyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate

methyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate (PubChem CID 71289295) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is methyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate
PubChem CID71289295
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Namemethyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate
SMILESCOC(=O)NC1CN(CC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O2/c1-14-6(13)11-5-2-12(3-5)4-7(8,9)10/h5H,2-4H2,1H3,(H,11,13)
InChIKeyHOSAICKQMFTZDN-UHFFFAOYSA-N
XLogP0.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate (CID 71289295) is methyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate is COC(=O)NC1CN(CC(F)(F)F)C1.
What is the InChIKey of methyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate?
The InChIKey is HOSAICKQMFTZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c1-14-6(13)11-5-2-12(3-5)4-7(8,9)10/h5H,2-4H2,1H3,(H,11,13).
What are the key properties of methyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate?
methyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate has a molecular weight of 212.17 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate is sourced from PubChem (CID 71289295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).