1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol

C9H9F2NO — CID 45043200

IUPAC1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol
SMILESNC1c2cc(F)cc(F)c2CC1O
InChIInChI=1S/C9H9F2NO/c10-4-1-6-5(7(11)2-4)3-8(13)9(6)12/h1-2,8-9,13H,3,12H2
InChIKeyLYQIMKXMBYLJOE-UHFFFAOYSA-N
MW185.17 g/mol
LogP0.88
Rot. Bonds

About 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol

1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol (PubChem CID 45043200) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol
PubChem CID45043200
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol
SMILESNC1c2cc(F)cc(F)c2CC1O
InChIInChI=1S/C9H9F2NO/c10-4-1-6-5(7(11)2-4)3-8(13)9(6)12/h1-2,8-9,13H,3,12H2
InChIKeyLYQIMKXMBYLJOE-UHFFFAOYSA-N
XLogP0.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol (CID 45043200) is 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol is NC1c2cc(F)cc(F)c2CC1O.
What is the InChIKey of 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol?
The InChIKey is LYQIMKXMBYLJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-4-1-6-5(7(11)2-4)3-8(13)9(6)12/h1-2,8-9,13H,3,12H2.
What are the key properties of 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol?
1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol has a molecular weight of 185.17 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 45043200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).