2-(2,2,2-trifluoro-1-methoxyethyl)aniline

C9H10F3NO — CID 84734028

IUPAC2-(2,2,2-trifluoro-1-methoxyethyl)aniline
SMILESCOC(c1ccccc1N)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-14-8(9(10,11)12)6-4-2-3-5-7(6)13/h2-5,8H,13H2,1H3
InChIKeyQWZPZZFKTOABBL-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.52
Rot. Bonds2

About 2-(2,2,2-trifluoro-1-methoxyethyl)aniline

2-(2,2,2-trifluoro-1-methoxyethyl)aniline (PubChem CID 84734028) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-(2,2,2-trifluoro-1-methoxyethyl)aniline.

Molecular Properties

Compound Name2-(2,2,2-trifluoro-1-methoxyethyl)aniline
PubChem CID84734028
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-(2,2,2-trifluoro-1-methoxyethyl)aniline
SMILESCOC(c1ccccc1N)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-14-8(9(10,11)12)6-4-2-3-5-7(6)13/h2-5,8H,13H2,1H3
InChIKeyQWZPZZFKTOABBL-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(Methoxymethyl)aniline
CID 12334306
2-Amino-alpha-methylbenzenemethanol
CID 112058
2-(((2-Aminophenyl)methoxy)methyl)aniline
CID 12618671
2-(2-Methoxyethyl)aniline
CID 15208917
2-Methoxymethyl-p-phenylenediamine
CID 9793859
4-(Methoxymethyl)aniline
CID 15212002
2-(Methoxymethyl)-3-methyl-aniline
CID 89875897
4-(Oxolan-2-yl)aniline
CID 82111256
CID 17754242
CID 17754242
2-(1-Ethoxy-1,2,2,3,3,4,4,4-octafluorobutyl)aniline
CID 131851352
3-(Methoxymethyl)aniline
CID 13042032
3-(Methoxymethyl)-2-methylaniline
CID 14801184

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoro-1-methoxyethyl)aniline?
The IUPAC name of 2-(2,2,2-trifluoro-1-methoxyethyl)aniline (CID 84734028) is 2-(2,2,2-trifluoro-1-methoxyethyl)aniline.
What is the SMILES notation for 2-(2,2,2-trifluoro-1-methoxyethyl)aniline?
The canonical SMILES for 2-(2,2,2-trifluoro-1-methoxyethyl)aniline is COC(c1ccccc1N)C(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoro-1-methoxyethyl)aniline?
The InChIKey is QWZPZZFKTOABBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-14-8(9(10,11)12)6-4-2-3-5-7(6)13/h2-5,8H,13H2,1H3.
What are the key properties of 2-(2,2,2-trifluoro-1-methoxyethyl)aniline?
2-(2,2,2-trifluoro-1-methoxyethyl)aniline has a molecular weight of 205.18 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoro-1-methoxyethyl)aniline is sourced from PubChem (CID 84734028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).