(1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol

C9H9F2NO — CID 51600803

IUPAC(1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol
SMILESN[C@H]1Cc2cc(F)cc(F)c2[C@H]1O
InChIInChI=1S/C9H9F2NO/c10-5-1-4-2-7(12)9(13)8(4)6(11)3-5/h1,3,7,9,13H,2,12H2/t7-,9-/m0/s1
InChIKeyJGVKSUNJPZHRSS-CBAPKCEASA-N
MW185.17 g/mol
LogP0.88
Rot. Bonds

About (1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol

(1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol (PubChem CID 51600803) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is (1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol
PubChem CID51600803
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name(1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol
SMILESN[C@H]1Cc2cc(F)cc(F)c2[C@H]1O
InChIInChI=1S/C9H9F2NO/c10-5-1-4-2-7(12)9(13)8(4)6(11)3-5/h1,3,7,9,13H,2,12H2/t7-,9-/m0/s1
InChIKeyJGVKSUNJPZHRSS-CBAPKCEASA-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 (1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol (CID 51600803) is (1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol is N[C@H]1Cc2cc(F)cc(F)c2[C@H]1O.
What is the InChIKey of (1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is JGVKSUNJPZHRSS-CBAPKCEASA-N. The full InChI is InChI=1S/C9H9F2NO/c10-5-1-4-2-7(12)9(13)8(4)6(11)3-5/h1,3,7,9,13H,2,12H2/t7-,9-/m0/s1.
What are the key properties of (1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol?
(1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-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 (1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 51600803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).