N,N-diethyl-2-(trifluoromethyl)aniline

C11H14F3N — CID 11344978

IUPACN,N-diethyl-2-(trifluoromethyl)aniline
SMILESCCN(CC)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-3-15(4-2)10-8-6-5-7-9(10)11(12,13)14/h5-8H,3-4H2,1-2H3
InChIKeyNNKPIGZCCACAHR-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.55
Rot. Bonds3

About N,N-diethyl-2-(trifluoromethyl)aniline

N,N-diethyl-2-(trifluoromethyl)aniline (PubChem CID 11344978) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is N,N-diethyl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-2-(trifluoromethyl)aniline
PubChem CID11344978
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC NameN,N-diethyl-2-(trifluoromethyl)aniline
SMILESCCN(CC)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-3-15(4-2)10-8-6-5-7-9(10)11(12,13)14/h5-8H,3-4H2,1-2H3
InChIKeyNNKPIGZCCACAHR-UHFFFAOYSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(trifluoromethyl)aniline?
The IUPAC name of N,N-diethyl-2-(trifluoromethyl)aniline (CID 11344978) is N,N-diethyl-2-(trifluoromethyl)aniline.
What is the SMILES notation for N,N-diethyl-2-(trifluoromethyl)aniline?
The canonical SMILES for N,N-diethyl-2-(trifluoromethyl)aniline is CCN(CC)c1ccccc1C(F)(F)F.
What is the InChIKey of N,N-diethyl-2-(trifluoromethyl)aniline?
The InChIKey is NNKPIGZCCACAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-3-15(4-2)10-8-6-5-7-9(10)11(12,13)14/h5-8H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-(trifluoromethyl)aniline?
N,N-diethyl-2-(trifluoromethyl)aniline has a molecular weight of 217.23 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 11344978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).