1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol

C12H15F4NO2 — CID 115282873

IUPAC1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F4NO2/c1-19-7-11(18)6-17-5-8-2-9(12(14,15)16)4-10(13)3-8/h2-4,11,17-18H,5-7H2,1H3
InChIKeyZVQFJAAAGJYADP-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.94
Rot. Bonds6

About 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol

1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol (PubChem CID 115282873) has the molecular formula C12H15F4NO2 and a molecular weight of 281.25 g/mol. Its IUPAC name is 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol
PubChem CID115282873
Molecular FormulaC12H15F4NO2
Molecular Weight281.25 g/mol
Exact Mass281.10
IUPAC Name1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F4NO2/c1-19-7-11(18)6-17-5-8-2-9(12(14,15)16)4-10(13)3-8/h2-4,11,17-18H,5-7H2,1H3
InChIKeyZVQFJAAAGJYADP-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171481
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol
CID 103823528
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine
CID 115748379
methyl 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanoate
CID 115350555
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide
CID 115282732
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83306725
3-butoxy-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115748160
2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol
CID 103992458
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide
CID 115282718
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol
CID 111425264
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115350279

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol (CID 115282873) is 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol is COCC(O)CNCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol?
The InChIKey is ZVQFJAAAGJYADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO2/c1-19-7-11(18)6-17-5-8-2-9(12(14,15)16)4-10(13)3-8/h2-4,11,17-18H,5-7H2,1H3.
What are the key properties of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol?
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol has a molecular weight of 281.25 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 115282873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).