N-phenyl-3-(trifluoromethyl)aniline

C13H10F3N — CID 7548

IUPACN-phenyl-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(Nc2ccccc2)c1
InChIInChI=1S/C13H10F3N/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9,17H
InChIKeyWJCRAVDPIMWFPG-UHFFFAOYSA-N
MW237.22 g/mol
LogP4.45
Rot. Bonds2

About N-phenyl-3-(trifluoromethyl)aniline

N-phenyl-3-(trifluoromethyl)aniline (PubChem CID 7548) has the molecular formula C13H10F3N and a molecular weight of 237.22 g/mol. Its IUPAC name is N-phenyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-phenyl-3-(trifluoromethyl)aniline
PubChem CID7548
Molecular FormulaC13H10F3N
Molecular Weight237.22 g/mol
Exact Mass237.08
IUPAC NameN-phenyl-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(Nc2ccccc2)c1
InChIInChI=1S/C13H10F3N/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9,17H
InChIKeyWJCRAVDPIMWFPG-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(trifluoromethyl)aniline?
The IUPAC name of N-phenyl-3-(trifluoromethyl)aniline (CID 7548) is N-phenyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-phenyl-3-(trifluoromethyl)aniline?
The canonical SMILES for N-phenyl-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(Nc2ccccc2)c1.
What is the InChIKey of N-phenyl-3-(trifluoromethyl)aniline?
The InChIKey is WJCRAVDPIMWFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9,17H.
What are the key properties of N-phenyl-3-(trifluoromethyl)aniline?
N-phenyl-3-(trifluoromethyl)aniline has a molecular weight of 237.22 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 7548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).