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

C9H9F2NO — CID 58426091

IUPAC(1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol
SMILESN[C@H]1C[C@@H](O)c2c(F)cc(F)cc21
InChIInChI=1S/C9H9F2NO/c10-4-1-5-7(12)3-8(13)9(5)6(11)2-4/h1-2,7-8,13H,3,12H2/t7-,8+/m0/s1
InChIKeyZGPARDZDYXAAKP-JGVFFNPUSA-N
MW185.17 g/mol
LogP1.40
Rot. Bonds

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

(1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol (PubChem CID 58426091) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is (1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol
PubChem CID58426091
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name(1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol
SMILESN[C@H]1C[C@@H](O)c2c(F)cc(F)cc21
InChIInChI=1S/C9H9F2NO/c10-4-1-5-7(12)3-8(13)9(5)6(11)2-4/h1-2,7-8,13H,3,12H2/t7-,8+/m0/s1
InChIKeyZGPARDZDYXAAKP-JGVFFNPUSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-(+)-cis-1-Amino-2-indanol
CID 2725045
(1S,2R)-(-)-1-Amino-2-indanol
CID 9866743
2-amino-2,3-dihydro-1H-inden-1-ol hydrochloride
CID 203118
1-Amino-2-indanol
CID 139034
1-Amino-2-indanol, trans-(-)-
CID 6931154
(1S,2S)-1-Amino-2-indanol
CID 6931156
3-amino-2,3-dihydro-1H-inden-1-ol
CID 9855521
(1R,2R)-2-Amino-2,3-dihydro-1H-inden-1-ol
CID 10898857
2-Aminoindan-1-ol
CID 85794
1-Indanol, 2-(alpha-aminobenzyl)-, hydrochloride, cis-(+-)-
CID 213905
rac-(1R,2S)-2-amino-2,3-dihydro-1H-inden-1-ol
CID 11008081
rac-(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-ol hydrochloride
CID 12550281

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol (CID 58426091) is (1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol is N[C@H]1C[C@@H](O)c2c(F)cc(F)cc21.
What is the InChIKey of (1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is ZGPARDZDYXAAKP-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-4-1-5-7(12)3-8(13)9(5)6(11)2-4/h1-2,7-8,13H,3,12H2/t7-,8+/m0/s1.
What are the key properties of (1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol?
(1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 185.17 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 58426091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).