4-[[2-(difluoromethoxy)anilino]methyl]phenol

C14H13F2NO2 — CID 28623945

IUPAC4-[[2-(difluoromethoxy)anilino]methyl]phenol
SMILESOc1ccc(CNc2ccccc2OC(F)F)cc1
InChIInChI=1S/C14H13F2NO2/c15-14(16)19-13-4-2-1-3-12(13)17-9-10-5-7-11(18)8-6-10/h1-8,14,17-18H,9H2
InChIKeyHIUZGTDVGLKWHK-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.61
Rot. Bonds5

About 4-[[2-(difluoromethoxy)anilino]methyl]phenol

4-[[2-(difluoromethoxy)anilino]methyl]phenol (PubChem CID 28623945) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-[[2-(difluoromethoxy)anilino]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(difluoromethoxy)anilino]methyl]phenol
PubChem CID28623945
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name4-[[2-(difluoromethoxy)anilino]methyl]phenol
SMILESOc1ccc(CNc2ccccc2OC(F)F)cc1
InChIInChI=1S/C14H13F2NO2/c15-14(16)19-13-4-2-1-3-12(13)17-9-10-5-7-11(18)8-6-10/h1-8,14,17-18H,9H2
InChIKeyHIUZGTDVGLKWHK-UHFFFAOYSA-N
XLogP3.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol
CID 79881310
2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 63047244
N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 60788909
N-[(3-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 81143549
2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline
CID 115526003
2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43235541
N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 114452172
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol
CID 64831321
N-[2-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 2425783
N-[2-(difluoromethoxy)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 78991445
[4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol
CID 110006746

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethoxy)anilino]methyl]phenol?
The IUPAC name of 4-[[2-(difluoromethoxy)anilino]methyl]phenol (CID 28623945) is 4-[[2-(difluoromethoxy)anilino]methyl]phenol.
What is the SMILES notation for 4-[[2-(difluoromethoxy)anilino]methyl]phenol?
The canonical SMILES for 4-[[2-(difluoromethoxy)anilino]methyl]phenol is Oc1ccc(CNc2ccccc2OC(F)F)cc1.
What is the InChIKey of 4-[[2-(difluoromethoxy)anilino]methyl]phenol?
The InChIKey is HIUZGTDVGLKWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c15-14(16)19-13-4-2-1-3-12(13)17-9-10-5-7-11(18)8-6-10/h1-8,14,17-18H,9H2.
What are the key properties of 4-[[2-(difluoromethoxy)anilino]methyl]phenol?
4-[[2-(difluoromethoxy)anilino]methyl]phenol has a molecular weight of 265.26 g/mol, XLogP of 3.61, 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]phenol is sourced from PubChem (CID 28623945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).