4-[2-(trifluoromethoxy)ethyl]aniline

C9H10F3NO — CID 75530474

IUPAC4-[2-(trifluoromethoxy)ethyl]aniline
SMILESNc1ccc(CCOC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)14-6-5-7-1-3-8(13)4-2-7/h1-4H,5-6,13H2
InChIKeyMYLUGYZQXRTBNB-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.35
Rot. Bonds3

About 4-[2-(trifluoromethoxy)ethyl]aniline

4-[2-(trifluoromethoxy)ethyl]aniline (PubChem CID 75530474) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 4-[2-(trifluoromethoxy)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(trifluoromethoxy)ethyl]aniline
PubChem CID75530474
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name4-[2-(trifluoromethoxy)ethyl]aniline
SMILESNc1ccc(CCOC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)14-6-5-7-1-3-8(13)4-2-7/h1-4H,5-6,13H2
InChIKeyMYLUGYZQXRTBNB-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline
CID 112587191
[4-(2,2,2-trifluoroethyl)phenyl]-[4-[2-(trifluoromethoxy)ethyl]phenyl]-[4-(trifluoromethoxy)phenyl]borane
CID 144582365
4-(2,2,2-trifluoroethyl)aniline
CID 14836858
1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene
CID 167413999
12-(trifluoromethoxy)dodecylbenzene
CID 59366570
3-(4-aminophenyl)propyl formate
CID 87851882
4-[3-[4-[2-[4-[3-(4-aminophenyl)propyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]propyl]aniline
CID 139935965
2-(4-aminophenyl)ethyl sulfite
CID 89371135
4-[3-(4-aminophenoxy)propyl]aniline
CID 146744980
4-(3,3-diethoxy-3-silylpropyl)aniline
CID 173240002
4-chloro-3-[2-(trifluoromethoxy)ethylsulfanyl]aniline
CID 79134444
4-[2-(2-iodophenoxy)ethyl]aniline
CID 43519777

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethoxy)ethyl]aniline?
The IUPAC name of 4-[2-(trifluoromethoxy)ethyl]aniline (CID 75530474) is 4-[2-(trifluoromethoxy)ethyl]aniline.
What is the SMILES notation for 4-[2-(trifluoromethoxy)ethyl]aniline?
The canonical SMILES for 4-[2-(trifluoromethoxy)ethyl]aniline is Nc1ccc(CCOC(F)(F)F)cc1.
What is the InChIKey of 4-[2-(trifluoromethoxy)ethyl]aniline?
The InChIKey is MYLUGYZQXRTBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)14-6-5-7-1-3-8(13)4-2-7/h1-4H,5-6,13H2.
What are the key properties of 4-[2-(trifluoromethoxy)ethyl]aniline?
4-[2-(trifluoromethoxy)ethyl]aniline has a molecular weight of 205.18 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethoxy)ethyl]aniline is sourced from PubChem (CID 75530474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).