4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol

C14H12F3NO — CID 115524031

IUPAC4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol
SMILESOc1ccc(NCc2ccc(C(F)F)cc2)cc1F
InChIInChI=1S/C14H12F3NO/c15-12-7-11(5-6-13(12)19)18-8-9-1-3-10(4-2-9)14(16)17/h1-7,14,18-19H,8H2
InChIKeyDICRABUFOVVFIE-UHFFFAOYSA-N
MW267.25 g/mol
LogP4.08
Rot. Bonds4

About 4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol

4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol (PubChem CID 115524031) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol.

Molecular Properties

Compound Name4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol
PubChem CID115524031
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol
SMILESOc1ccc(NCc2ccc(C(F)F)cc2)cc1F
InChIInChI=1S/C14H12F3NO/c15-12-7-11(5-6-13(12)19)18-8-9-1-3-10(4-2-9)14(16)17/h1-7,14,18-19H,8H2
InChIKeyDICRABUFOVVFIE-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 54.08
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

N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline
CID 115523440
4-[(4-butan-2-ylanilino)methyl]-2-fluorophenol
CID 107685413
4-[(3-bromo-4-fluoroanilino)methyl]-2-fluorophenol
CID 107686001
4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol
CID 66473251
N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline
CID 107643770
N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine
CID 115523823
N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline
CID 115523457
4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol
CID 64795401
4-(2-ethylbutylamino)-2-fluorophenol
CID 64782965
N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine
CID 114217566
4-[(4-chloro-3-fluoroanilino)methyl]benzene-1,2-diol
CID 43721424
2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide
CID 115523744

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol?
The IUPAC name of 4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol (CID 115524031) is 4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol.
What is the SMILES notation for 4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol?
The canonical SMILES for 4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol is Oc1ccc(NCc2ccc(C(F)F)cc2)cc1F.
What is the InChIKey of 4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol?
The InChIKey is DICRABUFOVVFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-12-7-11(5-6-13(12)19)18-8-9-1-3-10(4-2-9)14(16)17/h1-7,14,18-19H,8H2.
What are the key properties of 4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol?
4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol has a molecular weight of 267.25 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol is sourced from PubChem (CID 115524031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).