N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline

C11H11F6NO — CID 61492201

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline
SMILESFC(F)(F)COCCNc1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F6NO/c12-10(13,14)7-19-6-5-18-9-4-2-1-3-8(9)11(15,16)17/h1-4,18H,5-7H2
InChIKeyMZKXXCMWHTUIKZ-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.70
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline

N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline (PubChem CID 61492201) has the molecular formula C11H11F6NO and a molecular weight of 287.20 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline
PubChem CID61492201
Molecular FormulaC11H11F6NO
Molecular Weight287.20 g/mol
Exact Mass287.07
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline
SMILESFC(F)(F)COCCNc1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F6NO/c12-10(13,14)7-19-6-5-18-9-4-2-1-3-8(9)11(15,16)17/h1-4,18H,5-7H2
InChIKeyMZKXXCMWHTUIKZ-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.70
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-(3-propoxypropyl)-2-(trifluoromethyl)aniline
CID 82944074
N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline
CID 103409295
2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline
CID 61492678
3-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54961642
2-tert-butyl-N-(2-propoxyethyl)aniline
CID 106452063
N-[2-(2,2,2-trifluoroethoxy)ethyl]cinnolin-4-amine
CID 63827735
2-chloro-N-[2-(3,3,3-trifluoropropoxy)ethyl]aniline
CID 82959152
2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54962118
N-(6-chlorohexyl)-2-(trifluoromethyl)aniline
CID 107846141
N-(5-chloropentyl)-2-(trifluoromethyl)aniline
CID 107320506
4-methoxy-1-N-[2-(trifluoromethyl)phenyl]butane-1,3-diamine
CID 106244540
2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505393

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline (CID 61492201) is N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline is FC(F)(F)COCCNc1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline?
The InChIKey is MZKXXCMWHTUIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO/c12-10(13,14)7-19-6-5-18-9-4-2-1-3-8(9)11(15,16)17/h1-4,18H,5-7H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline?
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline has a molecular weight of 287.20 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 61492201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).