3,5-difluoro-2-(methylaminomethyl)phenol

C8H9F2NO — CID 84766377

IUPAC3,5-difluoro-2-(methylaminomethyl)phenol
SMILESCNCc1c(O)cc(F)cc1F
InChIInChI=1S/C8H9F2NO/c1-11-4-6-7(10)2-5(9)3-8(6)12/h2-3,11-12H,4H2,1H3
InChIKeyXGSOTEJQECDLLE-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.39
Rot. Bonds2

About 3,5-difluoro-2-(methylaminomethyl)phenol

3,5-difluoro-2-(methylaminomethyl)phenol (PubChem CID 84766377) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 3,5-difluoro-2-(methylaminomethyl)phenol.

Molecular Properties

Compound Name3,5-difluoro-2-(methylaminomethyl)phenol
PubChem CID84766377
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name3,5-difluoro-2-(methylaminomethyl)phenol
SMILESCNCc1c(O)cc(F)cc1F
InChIInChI=1S/C8H9F2NO/c1-11-4-6-7(10)2-5(9)3-8(6)12/h2-3,11-12H,4H2,1H3
InChIKeyXGSOTEJQECDLLE-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3,5-difluorophenol
CID 131273539
5-fluoro-2-(methylaminomethyl)phenol
CID 82595579
3-chloro-5-fluoro-4-(methylaminomethyl)phenol
CID 84771305
2,3,5-trifluorophenol
CID 2733311
3-fluoro-5-methoxy-4-(methylaminomethyl)phenol
CID 84769612
2-chloro-4-fluoro-3-(methylaminomethyl)phenol
CID 84771303
2,3,5-trifluorophenol;vanadium
CID 162728237
3-chloro-4-fluoro-2-(methylaminomethyl)phenol
CID 83877302
3-(2,4-difluoro-6-hydroxyphenyl)propanoic acid
CID 84776661
3,5-difluoro-2-methylphenol
CID 20580699
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
N-[(2,4,6-trifluorophenyl)methyl]acetamide
CID 110477322

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-(methylaminomethyl)phenol?
The IUPAC name of 3,5-difluoro-2-(methylaminomethyl)phenol (CID 84766377) is 3,5-difluoro-2-(methylaminomethyl)phenol.
What is the SMILES notation for 3,5-difluoro-2-(methylaminomethyl)phenol?
The canonical SMILES for 3,5-difluoro-2-(methylaminomethyl)phenol is CNCc1c(O)cc(F)cc1F.
What is the InChIKey of 3,5-difluoro-2-(methylaminomethyl)phenol?
The InChIKey is XGSOTEJQECDLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-11-4-6-7(10)2-5(9)3-8(6)12/h2-3,11-12H,4H2,1H3.
What are the key properties of 3,5-difluoro-2-(methylaminomethyl)phenol?
3,5-difluoro-2-(methylaminomethyl)phenol has a molecular weight of 173.16 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-(methylaminomethyl)phenol is sourced from PubChem (CID 84766377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).