4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol

C14H11F4NO2 — CID 79881310

IUPAC4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol
SMILESOc1c(F)cc(CNc2ccccc2OC(F)F)cc1F
InChIInChI=1S/C14H11F4NO2/c15-9-5-8(6-10(16)13(9)20)7-19-11-3-1-2-4-12(11)21-14(17)18/h1-6,14,19-20H,7H2
InChIKeyCXELMQMAWPQFQG-UHFFFAOYSA-N
MW301.24 g/mol
LogP3.88
Rot. Bonds5

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

4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol (PubChem CID 79881310) has the molecular formula C14H11F4NO2 and a molecular weight of 301.24 g/mol. Its IUPAC name is 4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol
PubChem CID79881310
Molecular FormulaC14H11F4NO2
Molecular Weight301.24 g/mol
Exact Mass301.07
IUPAC Name4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol
SMILESOc1c(F)cc(CNc2ccccc2OC(F)F)cc1F
InChIInChI=1S/C14H11F4NO2/c15-9-5-8(6-10(16)13(9)20)7-19-11-3-1-2-4-12(11)21-14(17)18/h1-6,14,19-20H,7H2
InChIKeyCXELMQMAWPQFQG-UHFFFAOYSA-N
XLogP3.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 60788909
4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 28623945
2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43235541
N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 114452172
N-[(3-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 81143549
2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 63047244
4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol
CID 79881285
2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline
CID 115526003
4-[(2-chloroanilino)methyl]-2,6-difluorophenol
CID 79886747
4-[(2-bromoanilino)methyl]-2,6-difluorophenol
CID 79886224
2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol
CID 79881281
N-[(2-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 43217892

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol?
The IUPAC name of 4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol (CID 79881310) is 4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol is Oc1c(F)cc(CNc2ccccc2OC(F)F)cc1F.
What is the InChIKey of 4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol?
The InChIKey is CXELMQMAWPQFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO2/c15-9-5-8(6-10(16)13(9)20)7-19-11-3-1-2-4-12(11)21-14(17)18/h1-6,14,19-20H,7H2.
What are the key properties of 4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol?
4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol has a molecular weight of 301.24 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol is sourced from PubChem (CID 79881310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).