4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol

C13H10F3NO — CID 64795401

IUPAC4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol
SMILESOc1ccc(NCc2cccc(F)c2F)cc1F
InChIInChI=1S/C13H10F3NO/c14-10-3-1-2-8(13(10)16)7-17-9-4-5-12(18)11(15)6-9/h1-6,17-18H,7H2
InChIKeyUCEUXYVXSFCMJI-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.42
Rot. Bonds3

About 4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol

4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol (PubChem CID 64795401) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol
PubChem CID64795401
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol
SMILESOc1ccc(NCc2cccc(F)c2F)cc1F
InChIInChI=1S/C13H10F3NO/c14-10-3-1-2-8(13(10)16)7-17-9-4-5-12(18)11(15)6-9/h1-6,17-18H,7H2
InChIKeyUCEUXYVXSFCMJI-UHFFFAOYSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol
CID 107678317
3-[(2,3-difluorophenyl)methylamino]phenol
CID 63667379
2-fluoro-4-(1H-indol-7-ylmethylamino)phenol
CID 102911136
2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol
CID 64795397
N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide
CID 43425139
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
methyl 5-[(2,3-difluorophenyl)methylamino]-2-fluorobenzoate
CID 63667213
2-[(4-chloro-3-fluoroanilino)methyl]phenol
CID 4913246
N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline
CID 43425578
N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63667721
4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2-fluorophenol
CID 69013367
N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine
CID 114217557

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol?
The IUPAC name of 4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol (CID 64795401) is 4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol.
What is the SMILES notation for 4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol?
The canonical SMILES for 4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol is Oc1ccc(NCc2cccc(F)c2F)cc1F.
What is the InChIKey of 4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol?
The InChIKey is UCEUXYVXSFCMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-10-3-1-2-8(13(10)16)7-17-9-4-5-12(18)11(15)6-9/h1-6,17-18H,7H2.
What are the key properties of 4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol?
4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol has a molecular weight of 253.22 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol is sourced from PubChem (CID 64795401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).