1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol

C12H13F4NO — CID 113260457

IUPAC1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
SMILESOC(CNC1CCc2c(F)cccc21)C(F)(F)F
InChIInChI=1S/C12H13F4NO/c13-9-3-1-2-8-7(9)4-5-10(8)17-6-11(18)12(14,15)16/h1-3,10-11,17-18H,4-6H2
InChIKeyMTDYHNXXTVJSLX-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.33
Rot. Bonds3

About 1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol

1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol (PubChem CID 113260457) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
PubChem CID113260457
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
SMILESOC(CNC1CCc2c(F)cccc21)C(F)(F)F
InChIInChI=1S/C12H13F4NO/c13-9-3-1-2-8-7(9)4-5-10(8)17-6-11(18)12(14,15)16/h1-3,10-11,17-18H,4-6H2
InChIKeyMTDYHNXXTVJSLX-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol
CID 81338280
4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 102904112
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol
CID 81343552
4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine
CID 115496239
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-3-ol
CID 113262785
4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 79484089
2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine
CID 103781629
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 81296468
4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79483582
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
[3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 103781789

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol (CID 113260457) is 1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol is OC(CNC1CCc2c(F)cccc21)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The InChIKey is MTDYHNXXTVJSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c13-9-3-1-2-8-7(9)4-5-10(8)17-6-11(18)12(14,15)16/h1-3,10-11,17-18H,4-6H2.
What are the key properties of 1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol has a molecular weight of 263.23 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol is sourced from PubChem (CID 113260457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).