4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline

C11H14F3NO — CID 148686128

IUPAC4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline
SMILESCCOC(C)(c1ccc(N)cc1)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-3-16-10(2,11(12,13)14)8-4-6-9(15)7-5-8/h4-7H,3,15H2,1-2H3
InChIKeyNSNYADLUKKAXCK-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.08
Rot. Bonds3

About 4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline

4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline (PubChem CID 148686128) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline.

Molecular Properties

Compound Name4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline
PubChem CID148686128
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline
SMILESCCOC(C)(c1ccc(N)cc1)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-3-16-10(2,11(12,13)14)8-4-6-9(15)7-5-8/h4-7H,3,15H2,1-2H3
InChIKeyNSNYADLUKKAXCK-UHFFFAOYSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.08
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

4-(2-ethoxypropan-2-yl)aniline
CID 122627263
ethyl 3-(4-aminophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 137362955
4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline
CID 154634122
2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane
CID 143399660
1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene
CID 20771640
1,4-bis(2-ethoxypropan-2-yl)benzene
CID 54144220
4-[diethoxyphosphoryl(difluoro)methyl]aniline;hydrochloride
CID 21088749
2-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol
CID 118144058
2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol
CID 130274652
benzene-1,4-diamine;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol
CID 90976001
2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114942256
benzene;4-tert-butylaniline
CID 175140068

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline?
The IUPAC name of 4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline (CID 148686128) is 4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline.
What is the SMILES notation for 4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline?
The canonical SMILES for 4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline is CCOC(C)(c1ccc(N)cc1)C(F)(F)F.
What is the InChIKey of 4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline?
The InChIKey is NSNYADLUKKAXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-3-16-10(2,11(12,13)14)8-4-6-9(15)7-5-8/h4-7H,3,15H2,1-2H3.
What are the key properties of 4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline?
4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline has a molecular weight of 233.23 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline is sourced from PubChem (CID 148686128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).