N-(2-chloroethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C7H13ClF3NO — CID 63386812

IUPACN-(2-chloroethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCN(CCCl)CCOCC(F)(F)F
InChIInChI=1S/C7H13ClF3NO/c1-12(3-2-8)4-5-13-6-7(9,10)11/h2-6H2,1H3
InChIKeyDDVDQCWVJNZCBK-UHFFFAOYSA-N
MW219.63 g/mol
LogP1.74
Rot. Bonds6

About N-(2-chloroethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

N-(2-chloroethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63386812) has the molecular formula C7H13ClF3NO and a molecular weight of 219.63 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63386812
Molecular FormulaC7H13ClF3NO
Molecular Weight219.63 g/mol
Exact Mass219.06
IUPAC NameN-(2-chloroethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCN(CCCl)CCOCC(F)(F)F
InChIInChI=1S/C7H13ClF3NO/c1-12(3-2-8)4-5-13-6-7(9,10)11/h2-6H2,1H3
InChIKeyDDVDQCWVJNZCBK-UHFFFAOYSA-N
XLogP1.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 51.74
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 N-(2-chloroethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(2-chloroethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63386812) is N-(2-chloroethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(2-chloroethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CN(CCCl)CCOCC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is DDVDQCWVJNZCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClF3NO/c1-12(3-2-8)4-5-13-6-7(9,10)11/h2-6H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(2-chloroethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 219.63 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63386812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).