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

C13H9Cl2F2NO — CID 784602

IUPAC2,4-dichloro-6-[(3,4-difluoroanilino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNc1ccc(F)c(F)c1
InChIInChI=1S/C13H9Cl2F2NO/c14-8-3-7(13(19)10(15)4-8)6-18-9-1-2-11(16)12(17)5-9/h1-5,18-19H,6H2
InChIKeyQPTZVPUIHBBZNP-UHFFFAOYSA-N
MW304.12 g/mol
LogP4.59
Rot. Bonds3

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

2,4-dichloro-6-[(3,4-difluoroanilino)methyl]phenol (PubChem CID 784602) has the molecular formula C13H9Cl2F2NO and a molecular weight of 304.12 g/mol. Its IUPAC name is 2,4-dichloro-6-[(3,4-difluoroanilino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(3,4-difluoroanilino)methyl]phenol
PubChem CID784602
Molecular FormulaC13H9Cl2F2NO
Molecular Weight304.12 g/mol
Exact Mass303.00
IUPAC Name2,4-dichloro-6-[(3,4-difluoroanilino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNc1ccc(F)c(F)c1
InChIInChI=1S/C13H9Cl2F2NO/c14-8-3-7(13(19)10(15)4-8)6-18-9-1-2-11(16)12(17)5-9/h1-5,18-19H,6H2
InChIKeyQPTZVPUIHBBZNP-UHFFFAOYSA-N
XLogP4.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 54.59
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-[(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
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
Cambridge id 5462648
CID 784436
2-(1-Anilinoethyl)-4-chlorophenol
CID 4415951
1-(3,5-Dichloro-2-hydroxybenzyl)-1-(4-fluorobenzyl)-3-phenylthiourea
CID 44481081
2-{[3,5-Bis(trifluoromethyl)anilino]methyl}-4-chlorophenol
CID 57459268
4-Chloro-2-{[4-(trifluoromethoxy)anilino]methyl}benzenol
CID 676239
2-{[(3-Chloro-4-fluorophenyl)amino]methyl}phenol
CID 854657

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(3,4-difluoroanilino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(3,4-difluoroanilino)methyl]phenol (CID 784602) is 2,4-dichloro-6-[(3,4-difluoroanilino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(3,4-difluoroanilino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(3,4-difluoroanilino)methyl]phenol is Oc1c(Cl)cc(Cl)cc1CNc1ccc(F)c(F)c1.
What is the InChIKey of 2,4-dichloro-6-[(3,4-difluoroanilino)methyl]phenol?
The InChIKey is QPTZVPUIHBBZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2NO/c14-8-3-7(13(19)10(15)4-8)6-18-9-1-2-11(16)12(17)5-9/h1-5,18-19H,6H2.
What are the key properties of 2,4-dichloro-6-[(3,4-difluoroanilino)methyl]phenol?
2,4-dichloro-6-[(3,4-difluoroanilino)methyl]phenol has a molecular weight of 304.12 g/mol, XLogP of 4.59, 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-[(3,4-difluoroanilino)methyl]phenol is sourced from PubChem (CID 784602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).