2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline

C11H13ClF3NO — CID 82959152

IUPAC2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline
SMILESFC(F)(F)CCOCCNc1ccccc1Cl
InChIInChI=1S/C11H13ClF3NO/c12-9-3-1-2-4-10(9)16-6-8-17-7-5-11(13,14)15/h1-4,16H,5-8H2
InChIKeyWNTBGSKGIVUEIS-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.72
Rot. Bonds6

About 2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline

2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline (PubChem CID 82959152) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline
PubChem CID82959152
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline
SMILESFC(F)(F)CCOCCNc1ccccc1Cl
InChIInChI=1S/C11H13ClF3NO/c12-9-3-1-2-4-10(9)16-6-8-17-7-5-11(13,14)15/h1-4,16H,5-8H2
InChIKeyWNTBGSKGIVUEIS-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.72
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

2-chloro-N-(4,4,4-trifluorobutyl)aniline
CID 115513479
2-chloro-N-(2-pentoxyethyl)aniline
CID 62583761
2-chloro-N-[2-(2-cyclobutylethoxy)ethyl]aniline
CID 106206391
3-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54961642
2-chloro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]benzenecarbothioamide
CID 63828669
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline
CID 61492201
3-chloro-1-N-(5,5,5-trifluoropentyl)benzene-1,2-diamine
CID 104834782
2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline
CID 61492678
2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 66253887
N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55031855
3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline
CID 43387895
N-(2-butoxyethyl)-3-chloro-2-methylaniline
CID 61482959

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline?
The IUPAC name of 2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline (CID 82959152) is 2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline is FC(F)(F)CCOCCNc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline?
The InChIKey is WNTBGSKGIVUEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c12-9-3-1-2-4-10(9)16-6-8-17-7-5-11(13,14)15/h1-4,16H,5-8H2.
What are the key properties of 2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline?
2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline has a molecular weight of 267.68 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline is sourced from PubChem (CID 82959152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).