2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline

C11H13ClF3NO — CID 66253887

IUPAC2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
SMILESCc1cccc(Cl)c1NCCOCC(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c1-8-3-2-4-9(12)10(8)16-5-6-17-7-11(13,14)15/h2-4,16H,5-7H2,1H3
InChIKeyOVEIWZWFWDVSDG-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.64
Rot. Bonds5

About 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline

2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline (PubChem CID 66253887) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
PubChem CID66253887
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
SMILESCc1cccc(Cl)c1NCCOCC(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c1-8-3-2-4-9(12)10(8)16-5-6-17-7-11(13,14)15/h2-4,16H,5-7H2,1H3
InChIKeyOVEIWZWFWDVSDG-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The IUPAC name of 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline (CID 66253887) is 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline.
What is the SMILES notation for 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The canonical SMILES for 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline is Cc1cccc(Cl)c1NCCOCC(F)(F)F.
What is the InChIKey of 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The InChIKey is OVEIWZWFWDVSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-8-3-2-4-9(12)10(8)16-5-6-17-7-11(13,14)15/h2-4,16H,5-7H2,1H3.
What are the key properties of 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline has a molecular weight of 267.68 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline is sourced from PubChem (CID 66253887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).