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

C9H10FNO — CID 164603472

IUPAC(3S)-3-amino-4-fluoro-2,3-dihydro-1H-inden-1-ol
SMILESN[C@H]1CC(O)c2cccc(F)c21
InChIInChI=1S/C9H10FNO/c10-6-3-1-2-5-8(12)4-7(11)9(5)6/h1-3,7-8,12H,4,11H2/t7-,8?/m0/s1
InChIKeyDGUPYVAEJAMOIZ-JAMMHHFISA-N
MW167.18 g/mol
LogP1.26
Rot. Bonds

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

(3S)-3-amino-4-fluoro-2,3-dihydro-1H-inden-1-ol (PubChem CID 164603472) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (3S)-3-amino-4-fluoro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-4-fluoro-2,3-dihydro-1H-inden-1-ol
PubChem CID164603472
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(3S)-3-amino-4-fluoro-2,3-dihydro-1H-inden-1-ol
SMILESN[C@H]1CC(O)c2cccc(F)c21
InChIInChI=1S/C9H10FNO/c10-6-3-1-2-5-8(12)4-7(11)9(5)6/h1-3,7-8,12H,4,11H2/t7-,8?/m0/s1
InChIKeyDGUPYVAEJAMOIZ-JAMMHHFISA-N
XLogP1.26
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 ≤ 51.26
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
Brn 2140139
CID 215778
rac-(1R,2S)-2-amino-2,3-dihydro-1H-inden-1-ol
CID 11008081

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-fluoro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (3S)-3-amino-4-fluoro-2,3-dihydro-1H-inden-1-ol (CID 164603472) is (3S)-3-amino-4-fluoro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (3S)-3-amino-4-fluoro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (3S)-3-amino-4-fluoro-2,3-dihydro-1H-inden-1-ol is N[C@H]1CC(O)c2cccc(F)c21.
What is the InChIKey of (3S)-3-amino-4-fluoro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is DGUPYVAEJAMOIZ-JAMMHHFISA-N. The full InChI is InChI=1S/C9H10FNO/c10-6-3-1-2-5-8(12)4-7(11)9(5)6/h1-3,7-8,12H,4,11H2/t7-,8?/m0/s1.
What are the key properties of (3S)-3-amino-4-fluoro-2,3-dihydro-1H-inden-1-ol?
(3S)-3-amino-4-fluoro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 167.18 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-fluoro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 164603472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).