3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline

C13H10Cl2FN — CID 834546

IUPAC3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline
SMILESFc1ccccc1CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-10-5-11(15)7-12(6-10)17-8-9-3-1-2-4-13(9)16/h1-7,17H,8H2
InChIKeyHCYZIXNJVDKZFQ-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.74
Rot. Bonds3

About 3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline

3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline (PubChem CID 834546) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is 3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline
PubChem CID834546
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline
SMILESFc1ccccc1CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-10-5-11(15)7-12(6-10)17-8-9-3-1-2-4-13(9)16/h1-7,17H,8H2
InChIKeyHCYZIXNJVDKZFQ-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline?
The IUPAC name of 3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline (CID 834546) is 3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline is Fc1ccccc1CNc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline?
The InChIKey is HCYZIXNJVDKZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-10-5-11(15)7-12(6-10)17-8-9-3-1-2-4-13(9)16/h1-7,17H,8H2.
What are the key properties of 3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline?
3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline has a molecular weight of 270.13 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(2-fluorophenyl)methyl]aniline is sourced from PubChem (CID 834546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).