2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol

C11H14F3NO2 — CID 113462742

IUPAC2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol
SMILESCOc1ccc(CNCC(F)(F)CO)cc1F
InChIInChI=1S/C11H14F3NO2/c1-17-10-3-2-8(4-9(10)12)5-15-6-11(13,14)7-16/h2-4,15-16H,5-7H2,1H3
InChIKeyGRWSNKKIWKHHMR-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.55
Rot. Bonds6

About 2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol

2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol (PubChem CID 113462742) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol
PubChem CID113462742
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol
SMILESCOc1ccc(CNCC(F)(F)CO)cc1F
InChIInChI=1S/C11H14F3NO2/c1-17-10-3-2-8(4-9(10)12)5-15-6-11(13,14)7-16/h2-4,15-16H,5-7H2,1H3
InChIKeyGRWSNKKIWKHHMR-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61166828
N-(2,2-difluoro-3-hydroxypropyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 104858213
5-[(3-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897619
5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106177194
2-(2,4-difluorophenyl)-1-[(3-fluoro-4-methoxyphenyl)methylamino]propan-2-ol
CID 111334400
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43090366
3-[(3,5-dimethoxyphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 113462705
2-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43393255
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
CID 66058297
1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol
CID 115703077
3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110001057
2-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylbutanoic acid
CID 115250315

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol (CID 113462742) is 2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol is COc1ccc(CNCC(F)(F)CO)cc1F.
What is the InChIKey of 2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol?
The InChIKey is GRWSNKKIWKHHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-17-10-3-2-8(4-9(10)12)5-15-6-11(13,14)7-16/h2-4,15-16H,5-7H2,1H3.
What are the key properties of 2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol?
2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol has a molecular weight of 249.23 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 113462742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).