1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol

C13H18F3NO3 — CID 106990092

IUPAC1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol
SMILESCOCC(C)OCC(O)CNc1c(F)cc(F)cc1F
InChIInChI=1S/C13H18F3NO3/c1-8(6-19-2)20-7-10(18)5-17-13-11(15)3-9(14)4-12(13)16/h3-4,8,10,17-18H,5-7H2,1-2H3
InChIKeyVGOJRVMGEFKXFG-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.93
Rot. Bonds8

About 1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol

1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol (PubChem CID 106990092) has the molecular formula C13H18F3NO3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol
PubChem CID106990092
Molecular FormulaC13H18F3NO3
Molecular Weight293.28 g/mol
Exact Mass293.12
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol
SMILESCOCC(C)OCC(O)CNc1c(F)cc(F)cc1F
InChIInChI=1S/C13H18F3NO3/c1-8(6-19-2)20-7-10(18)5-17-13-11(15)3-9(14)4-12(13)16/h3-4,8,10,17-18H,5-7H2,1-2H3
InChIKeyVGOJRVMGEFKXFG-UHFFFAOYSA-N
XLogP1.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282
1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989019
1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989140
1-(2-bromo-4,6-difluoroanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900257
1-(3-bromo-4-chloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990160
1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol
CID 106989088
1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989033
1-(2,5-difluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992404
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990318
1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989052
1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 83077931

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol (CID 106990092) is 1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol is COCC(C)OCC(O)CNc1c(F)cc(F)cc1F.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol?
The InChIKey is VGOJRVMGEFKXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-8(6-19-2)20-7-10(18)5-17-13-11(15)3-9(14)4-12(13)16/h3-4,8,10,17-18H,5-7H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol has a molecular weight of 293.28 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol is sourced from PubChem (CID 106990092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).