1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one

C11H14FNO2 — CID 68648695

IUPAC1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one
SMILESCC(=O)C(c1ccc(O)cc1F)N(C)C
InChIInChI=1S/C11H14FNO2/c1-7(14)11(13(2)3)9-5-4-8(15)6-10(9)12/h4-6,11,15H,1-3H3
InChIKeyXRKFAHDWGGEJFO-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.72
Rot. Bonds3

About 1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one

1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one (PubChem CID 68648695) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one
PubChem CID68648695
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one
SMILESCC(=O)C(c1ccc(O)cc1F)N(C)C
InChIInChI=1S/C11H14FNO2/c1-7(14)11(13(2)3)9-5-4-8(15)6-10(9)12/h4-6,11,15H,1-3H3
InChIKeyXRKFAHDWGGEJFO-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 90178952
1-bromo-1-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 131061546
1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 116859934
1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one
CID 58533232
3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol
CID 107720804
3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol
CID 107720983
4-(1-amino-2-methylpropyl)-3-fluorophenol
CID 55282884
3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide
CID 107721203
1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one
CID 67726299
4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 55270468
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol
CID 107721055

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one (CID 68648695) is 1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one is CC(=O)C(c1ccc(O)cc1F)N(C)C.
What is the InChIKey of 1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one?
The InChIKey is XRKFAHDWGGEJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7(14)11(13(2)3)9-5-4-8(15)6-10(9)12/h4-6,11,15H,1-3H3.
What are the key properties of 1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one?
1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one has a molecular weight of 211.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 68648695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).