(1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol

C9H9FO — CID 47003503

IUPAC(1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2cc(F)ccc21
InChIInChI=1S/C9H9FO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9,11H,1,4H2/t9-/m0/s1
InChIKeyFFJGCSVJFOTPEO-VIFPVBQESA-N
MW152.17 g/mol
LogP1.81
Rot. Bonds

About (1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol

(1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol (PubChem CID 47003503) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is (1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol
PubChem CID47003503
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name(1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2cc(F)ccc21
InChIInChI=1S/C9H9FO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9,11H,1,4H2/t9-/m0/s1
InChIKeyFFJGCSVJFOTPEO-VIFPVBQESA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol (CID 47003503) is (1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol is O[C@H]1CCc2cc(F)ccc21.
What is the InChIKey of (1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is FFJGCSVJFOTPEO-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9FO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9,11H,1,4H2/t9-/m0/s1.
What are the key properties of (1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol?
(1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 152.17 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 47003503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).