2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline

C14H10F5N — CID 61075903

IUPAC2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cccc(NCc2ccccc2C(F)(F)F)c1F
InChIInChI=1S/C14H10F5N/c15-11-6-3-7-12(13(11)16)20-8-9-4-1-2-5-10(9)14(17,18)19/h1-7,20H,8H2
InChIKeyOYEVRVVVBXQAFP-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.60
Rot. Bonds3

About 2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline

2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 61075903) has the molecular formula C14H10F5N and a molecular weight of 287.23 g/mol. Its IUPAC name is 2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID61075903
Molecular FormulaC14H10F5N
Molecular Weight287.23 g/mol
Exact Mass287.07
IUPAC Name2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cccc(NCc2ccccc2C(F)(F)F)c1F
InChIInChI=1S/C14H10F5N/c15-11-6-3-7-12(13(11)16)20-8-9-4-1-2-5-10(9)14(17,18)19/h1-7,20H,8H2
InChIKeyOYEVRVVVBXQAFP-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 43385725
N-[(2-aminophenyl)methyl]-2,3-difluoroaniline
CID 66419423
N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62049514
4-chloro-5-fluoro-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
CID 66078811
2-amino-3-[[2-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 104716690
4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
CID 103590333
4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 65468894
N-benzyl-2,3-difluoroaniline
CID 21321341
4-[(2,3-difluoroanilino)methyl]benzene-1,3-diol
CID 61075014
N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline
CID 29040115
4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 55591594

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline (CID 61075903) is 2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline is Fc1cccc(NCc2ccccc2C(F)(F)F)c1F.
What is the InChIKey of 2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is OYEVRVVVBXQAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N/c15-11-6-3-7-12(13(11)16)20-8-9-4-1-2-5-10(9)14(17,18)19/h1-7,20H,8H2.
What are the key properties of 2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 287.23 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 61075903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).