N,N-dimethyl-2-(3,3,3-trifluoropropylamino)acetamide;2-methyloxetane

C11H21F3N2O2 — CID 174593412

IUPACN,N-dimethyl-2-(3,3,3-trifluoropropylamino)acetamide;2-methyloxetane
SMILESCC1CCO1.CN(C)C(=O)CNCCC(F)(F)F
InChIInChI=1S/C7H13F3N2O.C4H8O/c1-12(2)6(13)5-11-4-3-7(8,9)10;1-4-2-3-5-4/h11H,3-5H2,1-2H3;4H,2-3H2,1H3
InChIKeyHDIQEPPGZGCXDF-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.41
Rot. Bonds4

About N,N-dimethyl-2-(3,3,3-trifluoropropylamino)acetamide;2-methyloxetane

N,N-dimethyl-2-(3,3,3-trifluoropropylamino)acetamide;2-methyloxetane (PubChem CID 174593412) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N,N-dimethyl-2-(3,3,3-trifluoropropylamino)acetamide;2-methyloxetane.

Molecular Properties

Compound NameN,N-dimethyl-2-(3,3,3-trifluoropropylamino)acetamide;2-methyloxetane
PubChem CID174593412
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC NameN,N-dimethyl-2-(3,3,3-trifluoropropylamino)acetamide;2-methyloxetane
SMILESCC1CCO1.CN(C)C(=O)CNCCC(F)(F)F
InChIInChI=1S/C7H13F3N2O.C4H8O/c1-12(2)6(13)5-11-4-3-7(8,9)10;1-4-2-3-5-4/h11H,3-5H2,1-2H3;4H,2-3H2,1H3
InChIKeyHDIQEPPGZGCXDF-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3,3,3-trifluoropropylamino)acetamide;2-methyloxetane?
The IUPAC name of N,N-dimethyl-2-(3,3,3-trifluoropropylamino)acetamide;2-methyloxetane (CID 174593412) is N,N-dimethyl-2-(3,3,3-trifluoropropylamino)acetamide;2-methyloxetane.
What is the SMILES notation for N,N-dimethyl-2-(3,3,3-trifluoropropylamino)acetamide;2-methyloxetane?
The canonical SMILES for N,N-dimethyl-2-(3,3,3-trifluoropropylamino)acetamide;2-methyloxetane is CC1CCO1.CN(C)C(=O)CNCCC(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-(3,3,3-trifluoropropylamino)acetamide;2-methyloxetane?
The InChIKey is HDIQEPPGZGCXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O.C4H8O/c1-12(2)6(13)5-11-4-3-7(8,9)10;1-4-2-3-5-4/h11H,3-5H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of N,N-dimethyl-2-(3,3,3-trifluoropropylamino)acetamide;2-methyloxetane?
N,N-dimethyl-2-(3,3,3-trifluoropropylamino)acetamide;2-methyloxetane has a molecular weight of 270.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3,3,3-trifluoropropylamino)acetamide;2-methyloxetane is sourced from PubChem (CID 174593412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).