1-[2,2-difluoroethyl(methyl)amino]-2,3-dihydro-1H-inden-5-ol

C12H15F2NO — CID 107685138

IUPAC1-[2,2-difluoroethyl(methyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESCN(CC(F)F)C1CCc2cc(O)ccc21
InChIInChI=1S/C12H15F2NO/c1-15(7-12(13)14)11-5-2-8-6-9(16)3-4-10(8)11/h3-4,6,11-12,16H,2,5,7H2,1H3
InChIKeyJXDYXRLXWGTVNI-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.58
Rot. Bonds3

About 1-[2,2-difluoroethyl(methyl)amino]-2,3-dihydro-1H-inden-5-ol

1-[2,2-difluoroethyl(methyl)amino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107685138) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-[2,2-difluoroethyl(methyl)amino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[2,2-difluoroethyl(methyl)amino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107685138
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1-[2,2-difluoroethyl(methyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESCN(CC(F)F)C1CCc2cc(O)ccc21
InChIInChI=1S/C12H15F2NO/c1-15(7-12(13)14)11-5-2-8-6-9(16)3-4-10(8)11/h3-4,6,11-12,16H,2,5,7H2,1H3
InChIKeyJXDYXRLXWGTVNI-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoroethyl(methyl)amino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[2,2-difluoroethyl(methyl)amino]-2,3-dihydro-1H-inden-5-ol (CID 107685138) is 1-[2,2-difluoroethyl(methyl)amino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[2,2-difluoroethyl(methyl)amino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[2,2-difluoroethyl(methyl)amino]-2,3-dihydro-1H-inden-5-ol is CN(CC(F)F)C1CCc2cc(O)ccc21.
What is the InChIKey of 1-[2,2-difluoroethyl(methyl)amino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is JXDYXRLXWGTVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-15(7-12(13)14)11-5-2-8-6-9(16)3-4-10(8)11/h3-4,6,11-12,16H,2,5,7H2,1H3.
What are the key properties of 1-[2,2-difluoroethyl(methyl)amino]-2,3-dihydro-1H-inden-5-ol?
1-[2,2-difluoroethyl(methyl)amino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 227.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoroethyl(methyl)amino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107685138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).