N-phenyl-N-(trifluoromethyl)aniline

C13H10F3N — CID 2375905

IUPACN-phenyl-N-(trifluoromethyl)aniline
SMILESFC(F)(F)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10F3N/c14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyDQXUPWGUKXGTBG-UHFFFAOYSA-N
MW237.22 g/mol
LogP4.34
Rot. Bonds2

About N-phenyl-N-(trifluoromethyl)aniline

N-phenyl-N-(trifluoromethyl)aniline (PubChem CID 2375905) has the molecular formula C13H10F3N and a molecular weight of 237.22 g/mol. Its IUPAC name is N-phenyl-N-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-phenyl-N-(trifluoromethyl)aniline
PubChem CID2375905
Molecular FormulaC13H10F3N
Molecular Weight237.22 g/mol
Exact Mass237.08
IUPAC NameN-phenyl-N-(trifluoromethyl)aniline
SMILESFC(F)(F)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10F3N/c14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyDQXUPWGUKXGTBG-UHFFFAOYSA-N
XLogP4.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 54.34
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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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(trifluoromethyl)aniline?
The IUPAC name of N-phenyl-N-(trifluoromethyl)aniline (CID 2375905) is N-phenyl-N-(trifluoromethyl)aniline.
What is the SMILES notation for N-phenyl-N-(trifluoromethyl)aniline?
The canonical SMILES for N-phenyl-N-(trifluoromethyl)aniline is FC(F)(F)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-(trifluoromethyl)aniline?
The InChIKey is DQXUPWGUKXGTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N/c14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of N-phenyl-N-(trifluoromethyl)aniline?
N-phenyl-N-(trifluoromethyl)aniline has a molecular weight of 237.22 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(trifluoromethyl)aniline is sourced from PubChem (CID 2375905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).