(6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol

C12H14FNO — CID 164922228

IUPAC(6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol
SMILESOCC12CCCN1Cc1c(F)cccc12
InChIInChI=1S/C12H14FNO/c13-11-4-1-3-10-9(11)7-14-6-2-5-12(10,14)8-15/h1,3-4,15H,2,5-8H2
InChIKeyMWLZLVUTVOKYHC-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.62
Rot. Bonds1

About (6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol

(6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol (PubChem CID 164922228) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol.

Molecular Properties

Compound Name(6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol
PubChem CID164922228
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol
SMILESOCC12CCCN1Cc1c(F)cccc12
InChIInChI=1S/C12H14FNO/c13-11-4-1-3-10-9(11)7-14-6-2-5-12(10,14)8-15/h1,3-4,15H,2,5-8H2
InChIKeyMWLZLVUTVOKYHC-UHFFFAOYSA-N
XLogP1.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-yl]acetic acid
CID 83059146
[(8S)-7-(difluoromethylidene)-2,3,5,6-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 171099864
7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole
CID 174603640
4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid
CID 83069177
2-(1-amino-4-fluoro-2,3-dihydroinden-1-yl)ethanol
CID 83070069
4-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[(6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-ethynylnaphthalen-1-ol
CID 171590872
4,4,8-trifluoro-2,3-dihydro-1H-naphthalene
CID 84718996
(1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol
CID 112715367
[9-fluoro-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzoxepin-5-yl]methanamine
CID 82251173
(1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 97055121
(1-amino-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 112716328
5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 105464045

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol?
The IUPAC name of (6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol (CID 164922228) is (6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol.
What is the SMILES notation for (6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol?
The canonical SMILES for (6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol is OCC12CCCN1Cc1c(F)cccc12.
What is the InChIKey of (6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol?
The InChIKey is MWLZLVUTVOKYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-11-4-1-3-10-9(11)7-14-6-2-5-12(10,14)8-15/h1,3-4,15H,2,5-8H2.
What are the key properties of (6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol?
(6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol has a molecular weight of 207.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)methanol is sourced from PubChem (CID 164922228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).