(1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol

C14H15FO2 — CID 141379856

IUPAC(1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2c(C3=CCOCC3)ccc(F)c21
InChIInChI=1S/C14H15FO2/c15-12-3-1-10(9-5-7-17-8-6-9)11-2-4-13(16)14(11)12/h1,3,5,13,16H,2,4,6-8H2/t13-/m0/s1
InChIKeyNSKPYOYFVPNIHH-ZDUSSCGKSA-N
MW234.27 g/mol
LogP2.61
Rot. Bonds1

About (1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol

(1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol (PubChem CID 141379856) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is (1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol
PubChem CID141379856
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Name(1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2c(C3=CCOCC3)ccc(F)c21
InChIInChI=1S/C14H15FO2/c15-12-3-1-10(9-5-7-17-8-6-9)11-2-4-13(16)14(11)12/h1,3,5,13,16H,2,4,6-8H2/t13-/m0/s1
InChIKeyNSKPYOYFVPNIHH-ZDUSSCGKSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol with MolForge

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Launch Full Analysis

Related Compounds

Fluoren-9-ol
CID 74318
1-Indanol
CID 22819
(1S)-2,3-dihydro-1H-inden-1-ol
CID 6971242
(+-)-Acenaphthenol
CID 22750
1-Fluorenemethanol
CID 52307
(2,3-dihydro-1H-inden-5-yl)methanol
CID 330183
(1R)-2,3-dihydro-1H-inden-1-ol
CID 6971243
7-methyl-2,3-dihydro-1H-inden-1-ol
CID 23082867
(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 102085537
1-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol
CID 82713430
6-tert-butyl-2,3-dihydro-1H-inden-1-ol
CID 18402850
(1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 47003503

Frequently Asked Questions

What is the IUPAC name of (1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol (CID 141379856) is (1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol is O[C@H]1CCc2c(C3=CCOCC3)ccc(F)c21.
What is the InChIKey of (1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is NSKPYOYFVPNIHH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15FO2/c15-12-3-1-10(9-5-7-17-8-6-9)11-2-4-13(16)14(11)12/h1,3,5,13,16H,2,4,6-8H2/t13-/m0/s1.
What are the key properties of (1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol?
(1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 234.27 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(3,6-dihydro-2H-pyran-4-yl)-7-fluoro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 141379856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).