3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol

C11H14F3NO3 — CID 60703872

IUPAC3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
SMILESOCC(O)CNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)18-10-4-2-1-3-8(10)5-15-6-9(17)7-16/h1-4,9,15-17H,5-7H2
InChIKeyFGPLABOEXIUWMU-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.03
Rot. Bonds6

About 3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol

3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol (PubChem CID 60703872) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
PubChem CID60703872
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
SMILESOCC(O)CNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)18-10-4-2-1-3-8(10)5-15-6-9(17)7-16/h1-4,9,15-17H,5-7H2
InChIKeyFGPLABOEXIUWMU-UHFFFAOYSA-N
XLogP1.03
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 106170862
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
2-[2-[(2,3-dihydroxypropylamino)methyl]phenoxy]acetonitrile
CID 66176329
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592606
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol
CID 103924217
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 79254130
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
[1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol
CID 79479077
3-[(2-chlorophenyl)methylamino]propane-1,2-diol
CID 57229220

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol?
The IUPAC name of 3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol (CID 60703872) is 3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol?
The canonical SMILES for 3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol is OCC(O)CNCc1ccccc1OC(F)(F)F.
What is the InChIKey of 3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol?
The InChIKey is FGPLABOEXIUWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c12-11(13,14)18-10-4-2-1-3-8(10)5-15-6-9(17)7-16/h1-4,9,15-17H,5-7H2.
What are the key properties of 3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol?
3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol has a molecular weight of 265.23 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol is sourced from PubChem (CID 60703872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).