2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol

C13H9Cl3FNO — CID 112607220

IUPAC2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol
SMILESOc1c(Cl)cccc1CNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H9Cl3FNO/c14-9-3-1-2-7(13(9)19)6-18-12-10(15)4-8(17)5-11(12)16/h1-5,18-19H,6H2
InChIKeyOTTWFXQYIAELHQ-UHFFFAOYSA-N
MW320.58 g/mol
LogP5.10
Rot. Bonds3

About 2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol

2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol (PubChem CID 112607220) has the molecular formula C13H9Cl3FNO and a molecular weight of 320.58 g/mol. Its IUPAC name is 2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol
PubChem CID112607220
Molecular FormulaC13H9Cl3FNO
Molecular Weight320.58 g/mol
Exact Mass318.97
IUPAC Name2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol
SMILESOc1c(Cl)cccc1CNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H9Cl3FNO/c14-9-3-1-2-7(13(9)19)6-18-12-10(15)4-8(17)5-11(12)16/h1-5,18-19H,6H2
InChIKeyOTTWFXQYIAELHQ-UHFFFAOYSA-N
XLogP5.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.58
LogP ≤ 55.10
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-[(4-bromo-2,6-dichloroanilino)methyl]-6-chlorophenol
CID 112606366
2-bromo-6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]phenol
CID 107610553
2-chloro-6-[(2,4-difluoro-6-nitroanilino)methyl]phenol
CID 115951738
4-[(2,6-dichloro-4-fluoroanilino)methyl]benzene-1,3-diol
CID 83077129
2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 112606398
2-chloro-6-[(3-fluoro-5-nitroanilino)methyl]phenol
CID 107334735
N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline
CID 83076808
2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorophenol
CID 107694554
2-chloro-6-[(4-chloro-2-fluoroanilino)methyl]phenol
CID 112606494
2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487265
2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104792036
2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol
CID 115905940

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol?
The IUPAC name of 2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol (CID 112607220) is 2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol is Oc1c(Cl)cccc1CNc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol?
The InChIKey is OTTWFXQYIAELHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3FNO/c14-9-3-1-2-7(13(9)19)6-18-12-10(15)4-8(17)5-11(12)16/h1-5,18-19H,6H2.
What are the key properties of 2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol?
2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol has a molecular weight of 320.58 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol is sourced from PubChem (CID 112607220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).