2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C8H15ClF3NO — CID 63387415

IUPAC2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCC(Cl)CN(C)CCOCC(F)(F)F
InChIInChI=1S/C8H15ClF3NO/c1-7(9)5-13(2)3-4-14-6-8(10,11)12/h7H,3-6H2,1-2H3
InChIKeyGEODMYLAZRSXKF-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.12
Rot. Bonds6

About 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 63387415) has the molecular formula C8H15ClF3NO and a molecular weight of 233.66 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID63387415
Molecular FormulaC8H15ClF3NO
Molecular Weight233.66 g/mol
Exact Mass233.08
IUPAC Name2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCC(Cl)CN(C)CCOCC(F)(F)F
InChIInChI=1S/C8H15ClF3NO/c1-7(9)5-13(2)3-4-14-6-8(10,11)12/h7H,3-6H2,1-2H3
InChIKeyGEODMYLAZRSXKF-UHFFFAOYSA-N
XLogP2.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 63387415) is 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CC(Cl)CN(C)CCOCC(F)(F)F.
What is the InChIKey of 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is GEODMYLAZRSXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClF3NO/c1-7(9)5-13(2)3-4-14-6-8(10,11)12/h7H,3-6H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 233.66 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 63387415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).