N-ethyl-N-(trifluoromethyl)aniline

C9H10F3N — CID 13147752

IUPACN-ethyl-N-(trifluoromethyl)aniline
SMILESCCN(c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3N/c1-2-13(9(10,11)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyDRIQEOVSHDBBME-UHFFFAOYSA-N
MW189.18 g/mol
LogP3.03
Rot. Bonds2

About N-ethyl-N-(trifluoromethyl)aniline

N-ethyl-N-(trifluoromethyl)aniline (PubChem CID 13147752) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is N-ethyl-N-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-ethyl-N-(trifluoromethyl)aniline
PubChem CID13147752
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC NameN-ethyl-N-(trifluoromethyl)aniline
SMILESCCN(c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3N/c1-2-13(9(10,11)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyDRIQEOVSHDBBME-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethylaniline
CID 949
N-Ethylaniline
CID 7670
N,N-dimethyl-p-phenylenediamine
CID 7472
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N-Diethylaniline
CID 7061
N-Isopropylaniline
CID 13032
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
Trimethylphenylammonium iodide
CID 94135
N-Butylaniline
CID 14310
Aniline Mustard
CID 11108
N,N-Diethyl-p-phenylenediamine hydrochloride
CID 75145

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(trifluoromethyl)aniline?
The IUPAC name of N-ethyl-N-(trifluoromethyl)aniline (CID 13147752) is N-ethyl-N-(trifluoromethyl)aniline.
What is the SMILES notation for N-ethyl-N-(trifluoromethyl)aniline?
The canonical SMILES for N-ethyl-N-(trifluoromethyl)aniline is CCN(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-ethyl-N-(trifluoromethyl)aniline?
The InChIKey is DRIQEOVSHDBBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-2-13(9(10,11)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of N-ethyl-N-(trifluoromethyl)aniline?
N-ethyl-N-(trifluoromethyl)aniline has a molecular weight of 189.18 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(trifluoromethyl)aniline is sourced from PubChem (CID 13147752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).