N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline

C14H10BrF4N — CID 29040115

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline
SMILESFc1ccc(CNc2ccccc2C(F)(F)F)c(Br)c1
InChIInChI=1S/C14H10BrF4N/c15-12-7-10(16)6-5-9(12)8-20-13-4-2-1-3-11(13)14(17,18)19/h1-7,20H,8H2
InChIKeyYUXKINXDVDQERP-UHFFFAOYSA-N
MW348.14 g/mol
LogP5.22
Rot. Bonds3

About N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline

N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 29040115) has the molecular formula C14H10BrF4N and a molecular weight of 348.14 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline
PubChem CID29040115
Molecular FormulaC14H10BrF4N
Molecular Weight348.14 g/mol
Exact Mass346.99
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline
SMILESFc1ccc(CNc2ccccc2C(F)(F)F)c(Br)c1
InChIInChI=1S/C14H10BrF4N/c15-12-7-10(16)6-5-9(12)8-20-13-4-2-1-3-11(13)14(17,18)19/h1-7,20H,8H2
InChIKeyYUXKINXDVDQERP-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.14
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline
CID 28585998
N-[(2-bromo-4-fluorophenyl)methyl]-2-methylsulfanylaniline
CID 103610599
2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline
CID 107597623
N-[(4,5-dibromofuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 63419478
4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 55591594
1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine
CID 28582593
N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769241
N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28972863
N-[(2-bromo-4-fluorophenyl)methyl]-2-chloro-3-methylaniline
CID 114251751
2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 61075903
2-tert-butyl-N-[(5-fluoro-2-methylphenyl)methyl]aniline
CID 105371074
N-[(2-bromo-4-fluorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 63491887

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline (CID 29040115) is N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline is Fc1ccc(CNc2ccccc2C(F)(F)F)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is YUXKINXDVDQERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4N/c15-12-7-10(16)6-5-9(12)8-20-13-4-2-1-3-11(13)14(17,18)19/h1-7,20H,8H2.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline?
N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 348.14 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 29040115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).