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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Related Compounds

4,6-difluoro-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726126
(5S,6R)-6-amino-1,3-difluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 51601053
(5S)-1,3-difluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79014382
(3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol
CID 99879063
6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 175870832
(2R)-4,6-difluoro-2,3-dihydro-1H-inden-2-amine
CID 99644311
(1R,1aR,6aR)-3,5-difluoro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 125454821
(5S)-7,9-difluoro-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82887546
(1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol
CID 51600803
(3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol
CID 67237409
7,9-difluoro-4-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82886207
(1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 130665257

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).