(3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol

C9H10FNO — CID 130645514

IUPAC(3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol
SMILESN[C@@H]1CCc2c(F)ccc(O)c21
InChIInChI=1S/C9H10FNO/c10-6-2-4-8(12)9-5(6)1-3-7(9)11/h2,4,7,12H,1,3,11H2/t7-/m1/s1
InChIKeyRKLJMNWLEMKGNQ-SSDOTTSWSA-N
MW167.18 g/mol
LogP1.48
Rot. Bonds

About (3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol

(3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol (PubChem CID 130645514) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name(3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol
PubChem CID130645514
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol
SMILESN[C@@H]1CCc2c(F)ccc(O)c21
InChIInChI=1S/C9H10FNO/c10-6-2-4-8(12)9-5(6)1-3-7(9)11/h2,4,7,12H,1,3,11H2/t7-/m1/s1
InChIKeyRKLJMNWLEMKGNQ-SSDOTTSWSA-N
XLogP1.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 55275436
(1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 131145871
(1R)-1-amino-5,7-difluoro-2,3-dihydro-1H-inden-4-ol
CID 55274996
(1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130612015
(1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol
CID 130647724
(1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol
CID 55278137
tert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
CID 125458865
3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843
(1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130713599
(1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine
CID 130871328
4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine
CID 175262813
(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine
CID 131072460

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of (3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol (CID 130645514) is (3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for (3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for (3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol is N[C@@H]1CCc2c(F)ccc(O)c21.
What is the InChIKey of (3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol?
The InChIKey is RKLJMNWLEMKGNQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10FNO/c10-6-2-4-8(12)9-5(6)1-3-7(9)11/h2,4,7,12H,1,3,11H2/t7-/m1/s1.
What are the key properties of (3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol?
(3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol has a molecular weight of 167.18 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 130645514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).