N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline

C13H9BrF3N — CID 43093210

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
SMILESFc1cc(Br)ccc1CNc1c(F)cccc1F
InChIInChI=1S/C13H9BrF3N/c14-9-5-4-8(12(17)6-9)7-18-13-10(15)2-1-3-11(13)16/h1-6,18H,7H2
InChIKeyFDLNRBUDBVVDND-UHFFFAOYSA-N
MW316.12 g/mol
LogP4.48
Rot. Bonds3

About N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline

N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline (PubChem CID 43093210) has the molecular formula C13H9BrF3N and a molecular weight of 316.12 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
PubChem CID43093210
Molecular FormulaC13H9BrF3N
Molecular Weight316.12 g/mol
Exact Mass314.99
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
SMILESFc1cc(Br)ccc1CNc1c(F)cccc1F
InChIInChI=1S/C13H9BrF3N/c14-9-5-4-8(12(17)6-9)7-18-13-10(15)2-1-3-11(13)16/h1-6,18H,7H2
InChIKeyFDLNRBUDBVVDND-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448170
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline
CID 107598279
4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline
CID 65469109
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
N-[(4-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879011
2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580240
N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline
CID 43243000
N-[(2-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879071
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
2-[(4-bromo-2,6-difluoroanilino)methyl]phenol
CID 65468718
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469956
4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline
CID 43658804

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline (CID 43093210) is N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline is Fc1cc(Br)ccc1CNc1c(F)cccc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline?
The InChIKey is FDLNRBUDBVVDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3N/c14-9-5-4-8(12(17)6-9)7-18-13-10(15)2-1-3-11(13)16/h1-6,18H,7H2.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline?
N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline has a molecular weight of 316.12 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline is sourced from PubChem (CID 43093210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).