4-[(2-chloroanilino)methyl]-2,6-difluorophenol

C13H10ClF2NO — CID 79886747

IUPAC4-[(2-chloroanilino)methyl]-2,6-difluorophenol
SMILESOc1c(F)cc(CNc2ccccc2Cl)cc1F
InChIInChI=1S/C13H10ClF2NO/c14-9-3-1-2-4-12(9)17-7-8-5-10(15)13(18)11(16)6-8/h1-6,17-18H,7H2
InChIKeyYHRLHYGVTQSLQV-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.94
Rot. Bonds3

About 4-[(2-chloroanilino)methyl]-2,6-difluorophenol

4-[(2-chloroanilino)methyl]-2,6-difluorophenol (PubChem CID 79886747) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 4-[(2-chloroanilino)methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[(2-chloroanilino)methyl]-2,6-difluorophenol
PubChem CID79886747
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name4-[(2-chloroanilino)methyl]-2,6-difluorophenol
SMILESOc1c(F)cc(CNc2ccccc2Cl)cc1F
InChIInChI=1S/C13H10ClF2NO/c14-9-3-1-2-4-12(9)17-7-8-5-10(15)13(18)11(16)6-8/h1-6,17-18H,7H2
InChIKeyYHRLHYGVTQSLQV-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(2-chloroanilino)methyl]-2,6-difluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-bromoanilino)methyl]-2,6-difluorophenol
CID 79886224
4-[(5-bromo-2-chloroanilino)methyl]-2,6-difluorophenol
CID 79891306
2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol
CID 79881281
4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol
CID 79881285
4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide
CID 79881862
4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol
CID 79881310
2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79892131
4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
CID 79832570
4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 83081403
4-[(4-chloro-2-nitroanilino)methyl]-2,6-difluorophenol
CID 79882238
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28521330
N-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline
CID 63422009

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloroanilino)methyl]-2,6-difluorophenol?
The IUPAC name of 4-[(2-chloroanilino)methyl]-2,6-difluorophenol (CID 79886747) is 4-[(2-chloroanilino)methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[(2-chloroanilino)methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[(2-chloroanilino)methyl]-2,6-difluorophenol is Oc1c(F)cc(CNc2ccccc2Cl)cc1F.
What is the InChIKey of 4-[(2-chloroanilino)methyl]-2,6-difluorophenol?
The InChIKey is YHRLHYGVTQSLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c14-9-3-1-2-4-12(9)17-7-8-5-10(15)13(18)11(16)6-8/h1-6,17-18H,7H2.
What are the key properties of 4-[(2-chloroanilino)methyl]-2,6-difluorophenol?
4-[(2-chloroanilino)methyl]-2,6-difluorophenol has a molecular weight of 269.68 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloroanilino)methyl]-2,6-difluorophenol is sourced from PubChem (CID 79886747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).