4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol

C15H14F3NO2 — CID 64792600

IUPAC4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol
SMILESCC(Nc1ccc(O)c(F)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H14F3NO2/c1-9(19-11-5-6-14(20)13(16)8-11)10-3-2-4-12(7-10)21-15(17)18/h2-9,15,19-20H,1H3
InChIKeyWWGWCHKJIGZTOI-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.31
Rot. Bonds5

About 4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol

4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol (PubChem CID 64792600) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol.

Molecular Properties

Compound Name4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol
PubChem CID64792600
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol
SMILESCC(Nc1ccc(O)c(F)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H14F3NO2/c1-9(19-11-5-6-14(20)13(16)8-11)10-3-2-4-12(7-10)21-15(17)18/h2-9,15,19-20H,1H3
InChIKeyWWGWCHKJIGZTOI-UHFFFAOYSA-N
XLogP4.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol
CID 64793713
[3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol
CID 43714977
2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol
CID 107711014
2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol
CID 107678509
3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43380564
5-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-fluoroaniline
CID 43555248
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoro-4-methylaniline
CID 43100863
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline
CID 43099103
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 42961600
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-methylaniline
CID 107631068

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol?
The IUPAC name of 4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol (CID 64792600) is 4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol.
What is the SMILES notation for 4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol?
The canonical SMILES for 4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol is CC(Nc1ccc(O)c(F)c1)c1cccc(OC(F)F)c1.
What is the InChIKey of 4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol?
The InChIKey is WWGWCHKJIGZTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-9(19-11-5-6-14(20)13(16)8-11)10-3-2-4-12(7-10)21-15(17)18/h2-9,15,19-20H,1H3.
What are the key properties of 4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol?
4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol has a molecular weight of 297.28 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol is sourced from PubChem (CID 64792600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).