(1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol

C11H13FO2 — CID 56945782

IUPAC(1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol
SMILESC[C@]1(CO)Cc2cc(F)ccc2[C@H]1O
InChIInChI=1S/C11H13FO2/c1-11(6-13)5-7-4-8(12)2-3-9(7)10(11)14/h2-4,10,13-14H,5-6H2,1H3/t10-,11-/m1/s1
InChIKeyMIFDAQWPPKQTSP-GHMZBOCLSA-N
MW196.22 g/mol
LogP1.41
Rot. Bonds1

About (1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol

(1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol (PubChem CID 56945782) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol
PubChem CID56945782
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name(1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol
SMILESC[C@]1(CO)Cc2cc(F)ccc2[C@H]1O
InChIInChI=1S/C11H13FO2/c1-11(6-13)5-7-4-8(12)2-3-9(7)10(11)14/h2-4,10,13-14H,5-6H2,1H3/t10-,11-/m1/s1
InChIKeyMIFDAQWPPKQTSP-GHMZBOCLSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Fluoren-9-ol
CID 74318
1-Indanol
CID 22819
(1S)-2,3-dihydro-1H-inden-1-ol
CID 6971242
(1R)-2,3-dihydro-1H-inden-1-ol
CID 6971243
11-Hydroxydehydrobotrydienol
CID 10658336
Dehydrobotrydienol
CID 10728408
Alcyopterosins O
CID 10847307
1,2-Indanediol
CID 521197
trans-1,2-Indandiol
CID 247603
2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol
CID 20693131
12-Hydroxydehydrobotrydienol
CID 10610690
Alcyopterosin H
CID 10516792

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol?
The IUPAC name of (1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol (CID 56945782) is (1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol.
What is the SMILES notation for (1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol?
The canonical SMILES for (1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol is C[C@]1(CO)Cc2cc(F)ccc2[C@H]1O.
What is the InChIKey of (1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol?
The InChIKey is MIFDAQWPPKQTSP-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H13FO2/c1-11(6-13)5-7-4-8(12)2-3-9(7)10(11)14/h2-4,10,13-14H,5-6H2,1H3/t10-,11-/m1/s1.
What are the key properties of (1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol?
(1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol has a molecular weight of 196.22 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-5-fluoro-2-(hydroxymethyl)-2-methyl-1,3-dihydroinden-1-ol is sourced from PubChem (CID 56945782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).