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

C10H10FNO3 — CID 174227180

IUPAC[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid
SMILESO=C(O)N[C@@H]1c2c(F)cccc2C[C@@H]1O
InChIInChI=1S/C10H10FNO3/c11-6-3-1-2-5-4-7(13)9(8(5)6)12-10(14)15/h1-3,7,9,12-13H,4H2,(H,14,15)/t7-,9-/m0/s1
InChIKeyHUPHYNDNQVGZGD-CBAPKCEASA-N
MW211.19 g/mol
LogP1.05
Rot. Bonds1

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

[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid (PubChem CID 174227180) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is [(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid.

Molecular Properties

Compound Name[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid
PubChem CID174227180
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid
SMILESO=C(O)N[C@@H]1c2c(F)cccc2C[C@@H]1O
InChIInChI=1S/C10H10FNO3/c11-6-3-1-2-5-4-7(13)9(8(5)6)12-10(14)15/h1-3,7,9,12-13H,4H2,(H,14,15)/t7-,9-/m0/s1
InChIKeyHUPHYNDNQVGZGD-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

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Related Compounds

(3aS-cis)-(-)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 10954036
(3aR-cis)-(+)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 11789720
1,3a,4,8b-Tetrahydroindeno[1,2-d]oxazol-2-one
CID 4377951
rac-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11030622
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 22874977
1-(2-hydroxypropylamino)-2,3-dihydro-1H-inden-2-ol
CID 244373
tert-butyl N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 11021276
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,2R)-1-(methylamino)-2,3-dihydro-1H-inden-2-ol hydrochloride
CID 155820296
(1R,2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-ol hydrochloride
CID 155858608
rac-tert-butyl N-((1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
CID 165885854

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid?
The IUPAC name of [(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid (CID 174227180) is [(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid.
What is the SMILES notation for [(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid?
The canonical SMILES for [(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid is O=C(O)N[C@@H]1c2c(F)cccc2C[C@@H]1O.
What is the InChIKey of [(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid?
The InChIKey is HUPHYNDNQVGZGD-CBAPKCEASA-N. The full InChI is InChI=1S/C10H10FNO3/c11-6-3-1-2-5-4-7(13)9(8(5)6)12-10(14)15/h1-3,7,9,12-13H,4H2,(H,14,15)/t7-,9-/m0/s1.
What are the key properties of [(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid?
[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-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-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid is sourced from PubChem (CID 174227180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).