3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline

C13H9ClF3N — CID 107363892

IUPAC3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline
SMILESFc1cc(Cl)cc(NCc2c(F)cccc2F)c1
InChIInChI=1S/C13H9ClF3N/c14-8-4-9(15)6-10(5-8)18-7-11-12(16)2-1-3-13(11)17/h1-6,18H,7H2
InChIKeyNQYWGZBHEREEIC-UHFFFAOYSA-N
MW271.67 g/mol
LogP4.37
Rot. Bonds3

About 3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline

3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline (PubChem CID 107363892) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is 3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline
PubChem CID107363892
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline
SMILESFc1cc(Cl)cc(NCc2c(F)cccc2F)c1
InChIInChI=1S/C13H9ClF3N/c14-8-4-9(15)6-10(5-8)18-7-11-12(16)2-1-3-13(11)17/h1-6,18H,7H2
InChIKeyNQYWGZBHEREEIC-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054634
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 28992578
3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline
CID 107364306
3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363874
N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline
CID 106263110
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline
CID 107364885
2-[(3-chloro-5-fluoroanilino)methyl]-6-methylphenol
CID 113351702
N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55118977
2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 30051961
N-(1,3-benzodioxol-4-ylmethyl)-3-chloro-5-fluoroaniline
CID 103818384
3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363910

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline?
The IUPAC name of 3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline (CID 107363892) is 3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline?
The canonical SMILES for 3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline is Fc1cc(Cl)cc(NCc2c(F)cccc2F)c1.
What is the InChIKey of 3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline?
The InChIKey is NQYWGZBHEREEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-8-4-9(15)6-10(5-8)18-7-11-12(16)2-1-3-13(11)17/h1-6,18H,7H2.
What are the key properties of 3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline?
3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline has a molecular weight of 271.67 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline is sourced from PubChem (CID 107363892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).