4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline

C13H9ClF3N — CID 43721394

IUPAC4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
SMILESFc1ccc(CNc2ccc(Cl)c(F)c2)cc1F
InChIInChI=1S/C13H9ClF3N/c14-10-3-2-9(6-12(10)16)18-7-8-1-4-11(15)13(17)5-8/h1-6,18H,7H2
InChIKeyGIKUOLMPLBHRGU-UHFFFAOYSA-N
MW271.67 g/mol
LogP4.37
Rot. Bonds3

About 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline

4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline (PubChem CID 43721394) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
PubChem CID43721394
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
SMILESFc1ccc(CNc2ccc(Cl)c(F)c2)cc1F
InChIInChI=1S/C13H9ClF3N/c14-10-3-2-9(6-12(10)16)18-7-8-1-4-11(15)13(17)5-8/h1-6,18H,7H2
InChIKeyGIKUOLMPLBHRGU-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

4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
CID 81145480
4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
N-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)aniline
CID 107887420
N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 63454905
2-chloro-4-[(4-chloro-3-fluorophenyl)methylamino]phenol
CID 107678415
4-[(4-chloro-3-fluoroanilino)methyl]benzene-1,2-diol
CID 43721424
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline
CID 107265964
N-[(4-chloro-3-nitrophenyl)methyl]-3,4-difluoroaniline
CID 81301254
4-chloro-3-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43721327
3-bromo-N-[(3,4-difluorophenyl)methyl]-4-fluoroaniline
CID 115650344
N-[(4-chloro-3-fluorophenyl)methyl]-4-(trifluoromethoxy)aniline
CID 63422535

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline?
The IUPAC name of 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline (CID 43721394) is 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline.
What is the SMILES notation for 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline?
The canonical SMILES for 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline is Fc1ccc(CNc2ccc(Cl)c(F)c2)cc1F.
What is the InChIKey of 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline?
The InChIKey is GIKUOLMPLBHRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-10-3-2-9(6-12(10)16)18-7-8-1-4-11(15)13(17)5-8/h1-6,18H,7H2.
What are the key properties of 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline?
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-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 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline is sourced from PubChem (CID 43721394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).