4-(2,2,2-trifluoroethoxymethoxymethyl)aniline

C10H12F3NO2 — CID 106704374

IUPAC4-(2,2,2-trifluoroethoxymethoxymethyl)aniline
SMILESNc1ccc(COCOCC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)6-16-7-15-5-8-1-3-9(14)4-2-8/h1-4H,5-7,14H2
InChIKeyZZJQFIGVIHLQEQ-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.32
Rot. Bonds5

About 4-(2,2,2-trifluoroethoxymethoxymethyl)aniline

4-(2,2,2-trifluoroethoxymethoxymethyl)aniline (PubChem CID 106704374) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethoxymethyl)aniline.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethoxymethyl)aniline
PubChem CID106704374
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name4-(2,2,2-trifluoroethoxymethoxymethyl)aniline
SMILESNc1ccc(COCOCC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)6-16-7-15-5-8-1-3-9(14)4-2-8/h1-4H,5-7,14H2
InChIKeyZZJQFIGVIHLQEQ-UHFFFAOYSA-N
XLogP2.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 43128658
4-(2,2,2-trifluoroethyl)aniline
CID 14836858
4-(2,2,2-trifluoroethoxymethyl)benzenecarbothioamide
CID 24698396
4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 91641393
4-(phenylmethoxymethyl)aniline
CID 11701294
2,2,2-trifluoroethoxymethyl 2-(4-aminophenoxy)acetate
CID 106705737
4-(2,2-difluoroethoxymethyl)aniline
CID 60921613
N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 62443882
4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
CID 43365871
2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
CID 24703974
1-(diaminomethylidene)-2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]guanidine
CID 168604353

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxymethoxymethyl)aniline?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethoxymethyl)aniline (CID 106704374) is 4-(2,2,2-trifluoroethoxymethoxymethyl)aniline.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethoxymethyl)aniline?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethoxymethyl)aniline is Nc1ccc(COCOCC(F)(F)F)cc1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethoxymethyl)aniline?
The InChIKey is ZZJQFIGVIHLQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c11-10(12,13)6-16-7-15-5-8-1-3-9(14)4-2-8/h1-4H,5-7,14H2.
What are the key properties of 4-(2,2,2-trifluoroethoxymethoxymethyl)aniline?
4-(2,2,2-trifluoroethoxymethoxymethyl)aniline has a molecular weight of 235.20 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxymethoxymethyl)aniline is sourced from PubChem (CID 106704374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).