2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol

C13H10Cl2FNO — CID 112606398

IUPAC2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol
SMILESOc1c(Cl)cccc1CNc1cc(Cl)ccc1F
InChIInChI=1S/C13H10Cl2FNO/c14-9-4-5-11(16)12(6-9)17-7-8-2-1-3-10(15)13(8)18/h1-6,17-18H,7H2
InChIKeyXYEPOFBVDYPFID-UHFFFAOYSA-N
MW286.13 g/mol
LogP4.45
Rot. Bonds3

About 2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol

2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol (PubChem CID 112606398) has the molecular formula C13H10Cl2FNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol
PubChem CID112606398
Molecular FormulaC13H10Cl2FNO
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol
SMILESOc1c(Cl)cccc1CNc1cc(Cl)ccc1F
InChIInChI=1S/C13H10Cl2FNO/c14-9-4-5-11(16)12(6-9)17-7-8-2-1-3-10(15)13(8)18/h1-6,17-18H,7H2
InChIKeyXYEPOFBVDYPFID-UHFFFAOYSA-N
XLogP4.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[(4-chloro-2-fluoroanilino)methyl]phenol
CID 112606494
5-chloro-N-[(2-chlorophenyl)methyl]-2-fluoroaniline
CID 43385670
2-chloro-6-[(4-chloro-2-nitroanilino)methyl]phenol
CID 115951186
2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol
CID 112607220
5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline
CID 55198647
2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol
CID 107631121
2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol
CID 112553733
2-chloro-6-[(2,4-dibromoanilino)methyl]phenol
CID 112606455
2-chloro-6-[(2,5-dimethylanilino)methyl]phenol
CID 112553770
4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951237
5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 43385725
2-[(4-chloro-2,5-dimethoxyanilino)methyl]-6-fluorophenol
CID 115950931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol?
The IUPAC name of 2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol (CID 112606398) is 2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol is Oc1c(Cl)cccc1CNc1cc(Cl)ccc1F.
What is the InChIKey of 2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol?
The InChIKey is XYEPOFBVDYPFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO/c14-9-4-5-11(16)12(6-9)17-7-8-2-1-3-10(15)13(8)18/h1-6,17-18H,7H2.
What are the key properties of 2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol?
2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol has a molecular weight of 286.13 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol is sourced from PubChem (CID 112606398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).