N-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide

C8H12ClF3N2O — CID 89338921

IUPACN-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCC1(CNC(=O)C(F)(F)F)CN(Cl)C1
InChIInChI=1S/C8H12ClF3N2O/c1-2-7(4-14(9)5-7)3-13-6(15)8(10,11)12/h2-5H2,1H3,(H,13,15)
InChIKeyHDVXKQLSROIUJU-UHFFFAOYSA-N
MW244.64 g/mol
LogP1.53
Rot. Bonds3

About N-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide

N-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 89338921) has the molecular formula C8H12ClF3N2O and a molecular weight of 244.64 g/mol. Its IUPAC name is N-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID89338921
Molecular FormulaC8H12ClF3N2O
Molecular Weight244.64 g/mol
Exact Mass244.06
IUPAC NameN-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCC1(CNC(=O)C(F)(F)F)CN(Cl)C1
InChIInChI=1S/C8H12ClF3N2O/c1-2-7(4-14(9)5-7)3-13-6(15)8(10,11)12/h2-5H2,1H3,(H,13,15)
InChIKeyHDVXKQLSROIUJU-UHFFFAOYSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.64
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide (CID 89338921) is N-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide is CCC1(CNC(=O)C(F)(F)F)CN(Cl)C1.
What is the InChIKey of N-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is HDVXKQLSROIUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF3N2O/c1-2-7(4-14(9)5-7)3-13-6(15)8(10,11)12/h2-5H2,1H3,(H,13,15).
What are the key properties of N-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 244.64 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 89338921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).