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

C13H10Cl2FN — CID 29267092

IUPAC2,3-dichloro-N-[(3-fluorophenyl)methyl]aniline
SMILESFc1cccc(CNc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-11-5-2-6-12(13(11)15)17-8-9-3-1-4-10(16)7-9/h1-7,17H,8H2
InChIKeyZFYAPICCYIAVET-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.74
Rot. Bonds3

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

2,3-dichloro-N-[(3-fluorophenyl)methyl]aniline (PubChem CID 29267092) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is 2,3-dichloro-N-[(3-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[(3-fluorophenyl)methyl]aniline
PubChem CID29267092
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name2,3-dichloro-N-[(3-fluorophenyl)methyl]aniline
SMILESFc1cccc(CNc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-11-5-2-6-12(13(11)15)17-8-9-3-1-4-10(16)7-9/h1-7,17H,8H2
InChIKeyZFYAPICCYIAVET-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 2,3-dichloro-N-[(3-fluorophenyl)methyl]aniline?
The IUPAC name of 2,3-dichloro-N-[(3-fluorophenyl)methyl]aniline (CID 29267092) is 2,3-dichloro-N-[(3-fluorophenyl)methyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[(3-fluorophenyl)methyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[(3-fluorophenyl)methyl]aniline is Fc1cccc(CNc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2,3-dichloro-N-[(3-fluorophenyl)methyl]aniline?
The InChIKey is ZFYAPICCYIAVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-11-5-2-6-12(13(11)15)17-8-9-3-1-4-10(16)7-9/h1-7,17H,8H2.
What are the key properties of 2,3-dichloro-N-[(3-fluorophenyl)methyl]aniline?
2,3-dichloro-N-[(3-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 2,3-dichloro-N-[(3-fluorophenyl)methyl]aniline is sourced from PubChem (CID 29267092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).