[(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol

C12H14FNO2 — CID 146120728

IUPAC[(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol
SMILESOC[C@@H]1CN[C@H]2c3cc(F)ccc3OC[C@@H]12
InChIInChI=1S/C12H14FNO2/c13-8-1-2-11-9(3-8)12-10(6-16-11)7(5-15)4-14-12/h1-3,7,10,12,14-15H,4-6H2/t7-,10-,12-/m0/s1
InChIKeyTWOMEZAQAPBQRB-JWYUURKGSA-N
MW223.25 g/mol
LogP1.09
Rot. Bonds1

About [(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol

[(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol (PubChem CID 146120728) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is [(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol
PubChem CID146120728
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name[(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol
SMILESOC[C@@H]1CN[C@H]2c3cc(F)ccc3OC[C@@H]12
InChIInChI=1S/C12H14FNO2/c13-8-1-2-11-9(3-8)12-10(6-16-11)7(5-15)4-14-12/h1-3,7,10,12,14-15H,4-6H2/t7-,10-,12-/m0/s1
InChIKeyTWOMEZAQAPBQRB-JWYUURKGSA-N
XLogP1.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol
CID 130937445
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
CID 22012245
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 55263545
3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 82186946
(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
CID 58740911
(7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
CID 68554157
O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117201919
6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 82186929
4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol
CID 82188588
methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 137332483
(6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine
CID 155513688
4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene
CID 102418336

Frequently Asked Questions

What is the IUPAC name of [(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol?
The IUPAC name of [(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol (CID 146120728) is [(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol.
What is the SMILES notation for [(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol?
The canonical SMILES for [(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol is OC[C@@H]1CN[C@H]2c3cc(F)ccc3OC[C@@H]12.
What is the InChIKey of [(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol?
The InChIKey is TWOMEZAQAPBQRB-JWYUURKGSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-8-1-2-11-9(3-8)12-10(6-16-11)7(5-15)4-14-12/h1-3,7,10,12,14-15H,4-6H2/t7-,10-,12-/m0/s1.
What are the key properties of [(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol?
[(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol has a molecular weight of 223.25 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol is sourced from PubChem (CID 146120728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).