N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine

C10H10Cl2F3NO — CID 62599216

IUPACN-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2F3NO/c11-7-2-1-3-8(9(7)12)17-5-4-16-6-10(13,14)15/h1-3,16H,4-6H2
InChIKeyORUZKXVSAOKIKX-UHFFFAOYSA-N
MW288.10 g/mol
LogP3.52
Rot. Bonds5

About N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine

N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 62599216) has the molecular formula C10H10Cl2F3NO and a molecular weight of 288.10 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine
PubChem CID62599216
Molecular FormulaC10H10Cl2F3NO
Molecular Weight288.10 g/mol
Exact Mass287.01
IUPAC NameN-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2F3NO/c11-7-2-1-3-8(9(7)12)17-5-4-16-6-10(13,14)15/h1-3,16H,4-6H2
InChIKeyORUZKXVSAOKIKX-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 53.52
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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Related Compounds

N-[2-(2,6-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 60690736
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 55093296
2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid
CID 94694082
N-[3-(2,3-dichlorophenoxy)propyl]butan-1-amine
CID 2248430
2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride
CID 71297106
2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine
CID 62598874
5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine
CID 55077390
N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine
CID 2248800
N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62597022
2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine
CID 95469367
3-(2,3-dichlorophenoxy)propane-1-thiol
CID 79019605
N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 116690537

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine (CID 62599216) is N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCCOc1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is ORUZKXVSAOKIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3NO/c11-7-2-1-3-8(9(7)12)17-5-4-16-6-10(13,14)15/h1-3,16H,4-6H2.
What are the key properties of N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 288.10 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62599216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).