[(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid

C10H10FNO3 — CID 150234170

IUPAC[(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid
SMILESO=C(O)N[C@H]1Cc2cccc(F)c2[C@H]1O
InChIInChI=1S/C10H10FNO3/c11-6-3-1-2-5-4-7(12-10(14)15)9(13)8(5)6/h1-3,7,9,12-13H,4H2,(H,14,15)/t7-,9-/m0/s1
InChIKeyFWDCVEZSUFUSKK-CBAPKCEASA-N
MW211.19 g/mol
LogP1.05
Rot. Bonds1

About [(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid

[(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid (PubChem CID 150234170) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is [(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid.

Molecular Properties

Compound Name[(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid
PubChem CID150234170
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name[(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid
SMILESO=C(O)N[C@H]1Cc2cccc(F)c2[C@H]1O
InChIInChI=1S/C10H10FNO3/c11-6-3-1-2-5-4-7(12-10(14)15)9(13)8(5)6/h1-3,7,9,12-13H,4H2,(H,14,15)/t7-,9-/m0/s1
InChIKeyFWDCVEZSUFUSKK-CBAPKCEASA-N
XLogP1.05
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2,3-dihydro-1H-inden-1-ol hydrochloride
CID 203118
(1R,2R)-2-Amino-2,3-dihydro-1H-inden-1-ol
CID 10898857
2-Aminoindan-1-ol
CID 85794
1H-Indeno(2,1-b)pyridin-9-ol, 2,3,9,9a-tetrahydro-1-methyl-, monohydrochloride
CID 54552
rac-(1R,2S)-2-amino-2,3-dihydro-1H-inden-1-ol
CID 11008081
tert-butyl N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 11021276
rac-(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-ol hydrochloride
CID 12550281
tert-Butyl ((1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 17998891
prop-2-ynyl N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 102177606
(1S,2S)-2-Amino-2,3-dihydro-1H-inden-1-ol
CID 11137330
rac-tert-butyl N-((1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
CID 165885854
N-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 134967761

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid?
The IUPAC name of [(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid (CID 150234170) is [(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid.
What is the SMILES notation for [(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid?
The canonical SMILES for [(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid is O=C(O)N[C@H]1Cc2cccc(F)c2[C@H]1O.
What is the InChIKey of [(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid?
The InChIKey is FWDCVEZSUFUSKK-CBAPKCEASA-N. The full InChI is InChI=1S/C10H10FNO3/c11-6-3-1-2-5-4-7(12-10(14)15)9(13)8(5)6/h1-3,7,9,12-13H,4H2,(H,14,15)/t7-,9-/m0/s1.
What are the key properties of [(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid?
[(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid has a molecular weight of 211.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid is sourced from PubChem (CID 150234170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).