2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline

C14H11BrF3N — CID 107632927

IUPAC2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline
SMILESFc1ccc(Br)c(NCc2ccc(C(F)F)cc2)c1
InChIInChI=1S/C14H11BrF3N/c15-12-6-5-11(16)7-13(12)19-8-9-1-3-10(4-2-9)14(17)18/h1-7,14,19H,8H2
InChIKeyLAOXHJNKMADYOX-UHFFFAOYSA-N
MW330.15 g/mol
LogP5.14
Rot. Bonds4

About 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline

2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline (PubChem CID 107632927) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline
PubChem CID107632927
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline
SMILESFc1ccc(Br)c(NCc2ccc(C(F)F)cc2)c1
InChIInChI=1S/C14H11BrF3N/c15-12-6-5-11(16)7-13(12)19-8-9-1-3-10(4-2-9)14(17)18/h1-7,14,19H,8H2
InChIKeyLAOXHJNKMADYOX-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.15
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline
CID 115524054
4-[(2-bromo-5-fluoroanilino)methyl]benzamide
CID 103750683
2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline
CID 107635577
2-bromo-5-fluoro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 107632988
2-bromo-5-fluoro-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 107633333
2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 107633013
5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol
CID 107633247
3-[(2-bromo-5-fluoroanilino)methyl]-5-fluorobenzonitrile
CID 107636086
N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline
CID 107643770
[4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol
CID 113365750
2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 103826024
5-bromo-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile
CID 82702421

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline?
The IUPAC name of 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline (CID 107632927) is 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline?
The canonical SMILES for 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline is Fc1ccc(Br)c(NCc2ccc(C(F)F)cc2)c1.
What is the InChIKey of 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline?
The InChIKey is LAOXHJNKMADYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-12-6-5-11(16)7-13(12)19-8-9-1-3-10(4-2-9)14(17)18/h1-7,14,19H,8H2.
What are the key properties of 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline?
2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline has a molecular weight of 330.15 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline is sourced from PubChem (CID 107632927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).