2,3-dichloro-N-[(3,4-difluorophenyl)methyl]aniline

C13H9Cl2F2N — CID 28555566

IUPAC2,3-dichloro-N-[(3,4-difluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C13H9Cl2F2N/c14-9-2-1-3-12(13(9)15)18-7-8-4-5-10(16)11(17)6-8/h1-6,18H,7H2
InChIKeyQRFCZGNMJLXHIN-UHFFFAOYSA-N
MW288.12 g/mol
LogP4.88
Rot. Bonds3

About 2,3-dichloro-N-[(3,4-difluorophenyl)methyl]aniline

2,3-dichloro-N-[(3,4-difluorophenyl)methyl]aniline (PubChem CID 28555566) has the molecular formula C13H9Cl2F2N and a molecular weight of 288.12 g/mol. Its IUPAC name is 2,3-dichloro-N-[(3,4-difluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[(3,4-difluorophenyl)methyl]aniline
PubChem CID28555566
Molecular FormulaC13H9Cl2F2N
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC Name2,3-dichloro-N-[(3,4-difluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C13H9Cl2F2N/c14-9-2-1-3-12(13(9)15)18-7-8-4-5-10(16)11(17)6-8/h1-6,18H,7H2
InChIKeyQRFCZGNMJLXHIN-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 54.88
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-[(3,4-difluorophenyl)methyl]aniline?
The IUPAC name of 2,3-dichloro-N-[(3,4-difluorophenyl)methyl]aniline (CID 28555566) is 2,3-dichloro-N-[(3,4-difluorophenyl)methyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[(3,4-difluorophenyl)methyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[(3,4-difluorophenyl)methyl]aniline is Fc1ccc(CNc2cccc(Cl)c2Cl)cc1F.
What is the InChIKey of 2,3-dichloro-N-[(3,4-difluorophenyl)methyl]aniline?
The InChIKey is QRFCZGNMJLXHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N/c14-9-2-1-3-12(13(9)15)18-7-8-4-5-10(16)11(17)6-8/h1-6,18H,7H2.
What are the key properties of 2,3-dichloro-N-[(3,4-difluorophenyl)methyl]aniline?
2,3-dichloro-N-[(3,4-difluorophenyl)methyl]aniline has a molecular weight of 288.12 g/mol, XLogP of 4.88, 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-[(3,4-difluorophenyl)methyl]aniline is sourced from PubChem (CID 28555566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).