2,4-dichloro-6-[(3-fluoroanilino)methyl]phenol

C13H10Cl2FNO — CID 784436

IUPAC2,4-dichloro-6-[(3-fluoroanilino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNc1cccc(F)c1
InChIInChI=1S/C13H10Cl2FNO/c14-9-4-8(13(18)12(15)5-9)7-17-11-3-1-2-10(16)6-11/h1-6,17-18H,7H2
InChIKeyYGEAGPIAXLCYFX-UHFFFAOYSA-N
MW286.13 g/mol
LogP4.45
Rot. Bonds3

About 2,4-dichloro-6-[(3-fluoroanilino)methyl]phenol

2,4-dichloro-6-[(3-fluoroanilino)methyl]phenol (PubChem CID 784436) has the molecular formula C13H10Cl2FNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 2,4-dichloro-6-[(3-fluoroanilino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(3-fluoroanilino)methyl]phenol
PubChem CID784436
Molecular FormulaC13H10Cl2FNO
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2,4-dichloro-6-[(3-fluoroanilino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNc1cccc(F)c1
InChIInChI=1S/C13H10Cl2FNO/c14-9-4-8(13(18)12(15)5-9)7-17-11-3-1-2-10(16)6-11/h1-6,17-18H,7H2
InChIKeyYGEAGPIAXLCYFX-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

Alpha-(4-chloroanilino)-ortho-cresol
CID 581438
2-(((4-Fluorophenyl)Amino)Methyl)Phenol
CID 855073
2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}amino)methyl]-4,6-dichlorophenol
CID 16049478
2-(3-Chloro-4-fluoroanilino)-2-(5-chloro-2-hydroxyphenyl)acetonitrile
CID 90423425
Alpha-(3-chloro-para-toluidino)-ortho-cresol
CID 5122966
2-{[(2-Chlorophenyl)amino]methyl}phenol
CID 2393508
4-Chloro-2-{1-[(4-methylphenyl)amino]ethyl}phenol
CID 2948191
4-{[(3,5-Dichloro-2-hydroxyphenyl)methyl]amino}benzene-1-sulfonamide
CID 29559803
1-(5-Chloro-2-hydroxybenzyl)-1-(4-fluorobenzyl)-3-phenylthiourea
CID 46229498
2,4-Dichloro-6-[(3,4-difluoroanilino)methyl]phenol
CID 784602
2-(1-Anilinoethyl)-4-chlorophenol
CID 4415951
1-(3,5-Dichloro-2-hydroxybenzyl)-1-(4-fluorobenzyl)-3-phenylthiourea
CID 44481081

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(3-fluoroanilino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(3-fluoroanilino)methyl]phenol (CID 784436) is 2,4-dichloro-6-[(3-fluoroanilino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(3-fluoroanilino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(3-fluoroanilino)methyl]phenol is Oc1c(Cl)cc(Cl)cc1CNc1cccc(F)c1.
What is the InChIKey of 2,4-dichloro-6-[(3-fluoroanilino)methyl]phenol?
The InChIKey is YGEAGPIAXLCYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO/c14-9-4-8(13(18)12(15)5-9)7-17-11-3-1-2-10(16)6-11/h1-6,17-18H,7H2.
What are the key properties of 2,4-dichloro-6-[(3-fluoroanilino)methyl]phenol?
2,4-dichloro-6-[(3-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 2,4-dichloro-6-[(3-fluoroanilino)methyl]phenol is sourced from PubChem (CID 784436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).