4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol

C12H15FN2O — CID 103495845

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol
SMILESOC1CNCC1N1CCc2ccc(F)cc21
InChIInChI=1S/C12H15FN2O/c13-9-2-1-8-3-4-15(10(8)5-9)11-6-14-7-12(11)16/h1-2,5,11-12,14,16H,3-4,6-7H2
InChIKeyXOQAJXJRYPRFFJ-UHFFFAOYSA-N
MW222.26 g/mol
LogP0.52
Rot. Bonds1

About 4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol

4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol (PubChem CID 103495845) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol
PubChem CID103495845
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol
SMILESOC1CNCC1N1CCc2ccc(F)cc21
InChIInChI=1S/C12H15FN2O/c13-9-2-1-8-3-4-15(10(8)5-9)11-6-14-7-12(11)16/h1-2,5,11-12,14,16H,3-4,6-7H2
InChIKeyXOQAJXJRYPRFFJ-UHFFFAOYSA-N
XLogP0.52
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-1-pyrrolidin-3-yl-2,3-dihydroindole
CID 103495858
1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole
CID 103503437
2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile
CID 103495571
(6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 103822175
6-fluoro-1-(2-methylpiperidin-4-yl)-2,3-dihydroindole
CID 103496394
4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile
CID 103495580
1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 103504352
5-fluoro-1-piperidin-4-yl-2,3-dihydroindole
CID 67417842
7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-2-ol
CID 146357394
6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole
CID 59556823
(7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine
CID 105459047
(6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111520398

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol (CID 103495845) is 4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol is OC1CNCC1N1CCc2ccc(F)cc21.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol?
The InChIKey is XOQAJXJRYPRFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-9-2-1-8-3-4-15(10(8)5-9)11-6-14-7-12(11)16/h1-2,5,11-12,14,16H,3-4,6-7H2.
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol?
4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol has a molecular weight of 222.26 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 103495845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).