1-amino-4,6-difluoro-2,3-dihydro-1H-inden-5-ol

C9H9F2NO — CID 55270940

IUPAC1-amino-4,6-difluoro-2,3-dihydro-1H-inden-5-ol
SMILESNC1CCc2c1cc(F)c(O)c2F
InChIInChI=1S/C9H9F2NO/c10-6-3-5-4(1-2-7(5)12)8(11)9(6)13/h3,7,13H,1-2,12H2
InChIKeyDZOYGENLRCAPCN-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.62
Rot. Bonds

About 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-5-ol

1-amino-4,6-difluoro-2,3-dihydro-1H-inden-5-ol (PubChem CID 55270940) 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-5-ol.

Molecular Properties

Compound Name1-amino-4,6-difluoro-2,3-dihydro-1H-inden-5-ol
PubChem CID55270940
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name1-amino-4,6-difluoro-2,3-dihydro-1H-inden-5-ol
SMILESNC1CCc2c1cc(F)c(O)c2F
InChIInChI=1S/C9H9F2NO/c10-6-3-5-4(1-2-7(5)12)8(11)9(6)13/h3,7,13H,1-2,12H2
InChIKeyDZOYGENLRCAPCN-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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-5-ol?
The IUPAC name of 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-5-ol (CID 55270940) is 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-5-ol is NC1CCc2c1cc(F)c(O)c2F.
What is the InChIKey of 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-5-ol?
The InChIKey is DZOYGENLRCAPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-6-3-5-4(1-2-7(5)12)8(11)9(6)13/h3,7,13H,1-2,12H2.
What are the key properties of 1-amino-4,6-difluoro-2,3-dihydro-1H-inden-5-ol?
1-amino-4,6-difluoro-2,3-dihydro-1H-inden-5-ol has a molecular weight of 185.17 g/mol, XLogP of 1.62, 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-5-ol is sourced from PubChem (CID 55270940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).