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

C10H19ClF3NO — CID 107204997

IUPAC5-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCN(CCCCCCl)CCOCC(F)(F)F
InChIInChI=1S/C10H19ClF3NO/c1-15(6-4-2-3-5-11)7-8-16-9-10(12,13)14/h2-9H2,1H3
InChIKeyVCTKIPLPSLWJHB-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.91
Rot. Bonds9

About 5-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

5-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (PubChem CID 107204997) has the molecular formula C10H19ClF3NO and a molecular weight of 261.71 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
PubChem CID107204997
Molecular FormulaC10H19ClF3NO
Molecular Weight261.71 g/mol
Exact Mass261.11
IUPAC Name5-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCN(CCCCCCl)CCOCC(F)(F)F
InChIInChI=1S/C10H19ClF3NO/c1-15(6-4-2-3-5-11)7-8-16-9-10(12,13)14/h2-9H2,1H3
InChIKeyVCTKIPLPSLWJHB-UHFFFAOYSA-N
XLogP2.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.91
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 5-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The IUPAC name of 5-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (CID 107204997) is 5-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is CN(CCCCCCl)CCOCC(F)(F)F.
What is the InChIKey of 5-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The InChIKey is VCTKIPLPSLWJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClF3NO/c1-15(6-4-2-3-5-11)7-8-16-9-10(12,13)14/h2-9H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
5-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine has a molecular weight of 261.71 g/mol, XLogP of 2.91, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 107204997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).