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

C10H10FNO3 — CID 150234172

IUPAC[(1S,2R)-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-/m1/s1
InChIKeyFWDCVEZSUFUSKK-VXNVDRBHSA-N
MW211.19 g/mol
LogP1.05
Rot. Bonds1

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

[(1S,2R)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid (PubChem CID 150234172) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is [(1S,2R)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid.

Molecular Properties

Compound Name[(1S,2R)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid
PubChem CID150234172
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name[(1S,2R)-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-/m1/s1
InChIKeyFWDCVEZSUFUSKK-VXNVDRBHSA-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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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid?
The IUPAC name of [(1S,2R)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid (CID 150234172) is [(1S,2R)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid.
What is the SMILES notation for [(1S,2R)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid?
The canonical SMILES for [(1S,2R)-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 [(1S,2R)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid?
The InChIKey is FWDCVEZSUFUSKK-VXNVDRBHSA-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-/m1/s1.
What are the key properties of [(1S,2R)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid?
[(1S,2R)-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 [(1S,2R)-7-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamic acid is sourced from PubChem (CID 150234172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).