1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol

C13H16F3NO2 — CID 107683257

IUPAC1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol
SMILESCNC1CCc2cc(OCC(O)C(F)(F)F)ccc21
InChIInChI=1S/C13H16F3NO2/c1-17-11-5-2-8-6-9(3-4-10(8)11)19-7-12(18)13(14,15)16/h3-4,6,11-12,17-18H,2,5,7H2,1H3
InChIKeyDUTPLQCQXXFQER-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.20
Rot. Bonds4

About 1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol

1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol (PubChem CID 107683257) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol
PubChem CID107683257
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol
SMILESCNC1CCc2cc(OCC(O)C(F)(F)F)ccc21
InChIInChI=1S/C13H16F3NO2/c1-17-11-5-2-8-6-9(3-4-10(8)11)19-7-12(18)13(14,15)16/h3-4,6,11-12,17-18H,2,5,7H2,1H3
InChIKeyDUTPLQCQXXFQER-UHFFFAOYSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol with MolForge

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Related Compounds

(1S)-5-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 114091258
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683376
2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol
CID 107683344
5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
CID 107683313
ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683229
N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
CID 107683326
5-[(2,3-difluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683246
1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol
CID 107683826
5-[(5-chloro-2-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683270
N-cyclopropyl-2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683434
5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683254

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol (CID 107683257) is 1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol is CNC1CCc2cc(OCC(O)C(F)(F)F)ccc21.
What is the InChIKey of 1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol?
The InChIKey is DUTPLQCQXXFQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-17-11-5-2-8-6-9(3-4-10(8)11)19-7-12(18)13(14,15)16/h3-4,6,11-12,17-18H,2,5,7H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol?
1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol has a molecular weight of 275.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol is sourced from PubChem (CID 107683257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).