N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine

C10H10ClF4NO — CID 55093296

IUPACN-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine
SMILESFc1ccc(OCCNCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H10ClF4NO/c11-8-5-7(12)1-2-9(8)17-4-3-16-6-10(13,14)15/h1-2,5,16H,3-4,6H2
InChIKeyRAUCHPYOPGUREE-UHFFFAOYSA-N
MW271.64 g/mol
LogP3.01
Rot. Bonds5

About N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine

N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 55093296) has the molecular formula C10H10ClF4NO and a molecular weight of 271.64 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine
PubChem CID55093296
Molecular FormulaC10H10ClF4NO
Molecular Weight271.64 g/mol
Exact Mass271.04
IUPAC NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine
SMILESFc1ccc(OCCNCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H10ClF4NO/c11-8-5-7(12)1-2-9(8)17-4-3-16-6-10(13,14)15/h1-2,5,16H,3-4,6H2
InChIKeyRAUCHPYOPGUREE-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.64
LogP ≤ 53.01
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-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62599216
N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62597022
2-(2-chloro-4-fluorophenoxy)ethanethiol
CID 79019887
5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine
CID 62451735
N-[2-(2,6-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 60690736
5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine
CID 62451912
methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
CID 113102971
N-[3-(2-chloro-4-fluorophenoxy)propyl]cyclopentanamine
CID 62598567
1-(2-chloro-4-fluorophenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335048
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene
CID 63665649

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine (CID 55093296) is N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine is Fc1ccc(OCCNCC(F)(F)F)c(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is RAUCHPYOPGUREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF4NO/c11-8-5-7(12)1-2-9(8)17-4-3-16-6-10(13,14)15/h1-2,5,16H,3-4,6H2.
What are the key properties of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 271.64 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 55093296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).