N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline

C14H11F4N — CID 79032953

IUPACN-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1ccc(C(F)(F)F)cc1CNc1ccccc1
InChIInChI=1S/C14H11F4N/c15-13-7-6-11(14(16,17)18)8-10(13)9-19-12-4-2-1-3-5-12/h1-8,19H,9H2
InChIKeyOWGAVFNOYAUZOZ-UHFFFAOYSA-N
MW269.24 g/mol
LogP4.46
Rot. Bonds3

About N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline

N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 79032953) has the molecular formula C14H11F4N and a molecular weight of 269.24 g/mol. Its IUPAC name is N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID79032953
Molecular FormulaC14H11F4N
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC NameN-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1ccc(C(F)(F)F)cc1CNc1ccccc1
InChIInChI=1S/C14H11F4N/c15-13-7-6-11(14(16,17)18)8-10(13)9-19-12-4-2-1-3-5-12/h1-8,19H,9H2
InChIKeyOWGAVFNOYAUZOZ-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline (CID 79032953) is N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline is Fc1ccc(C(F)(F)F)cc1CNc1ccccc1.
What is the InChIKey of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is OWGAVFNOYAUZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N/c15-13-7-6-11(14(16,17)18)8-10(13)9-19-12-4-2-1-3-5-12/h1-8,19H,9H2.
What are the key properties of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline?
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 269.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 79032953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).