(2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol

C19H20FNO2 — CID 131676554

IUPAC(2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol
SMILESOCC12COc3cccc(F)c3C1CN(Cc1ccccc1)C2
InChIInChI=1S/C19H20FNO2/c20-16-7-4-8-17-18(16)15-10-21(9-14-5-2-1-3-6-14)11-19(15,12-22)13-23-17/h1-8,15,22H,9-13H2
InChIKeyDWWZCQAJBKGGCO-UHFFFAOYSA-N
MW313.37 g/mol
LogP2.80
Rot. Bonds3

About (2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol

(2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol (PubChem CID 131676554) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol.

Molecular Properties

Compound Name(2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol
PubChem CID131676554
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol
SMILESOCC12COc3cccc(F)c3C1CN(Cc1ccccc1)C2
InChIInChI=1S/C19H20FNO2/c20-16-7-4-8-17-18(16)15-10-21(9-14-5-2-1-3-6-14)11-19(15,12-22)13-23-17/h1-8,15,22H,9-13H2
InChIKeyDWWZCQAJBKGGCO-UHFFFAOYSA-N
XLogP2.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,9bR)-2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrole-3a-carboxylic acid
CID 126455320
(3aS,9bR)-2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrole-3a-carbonitrile
CID 126455387
2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrole-3a-carbonitrile
CID 127263464
[(3aS,9bS)-2-[(4-chloro-3-fluorophenyl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
CID 72932199
[(3aS,9bS)-2-[(3,5-dichloro-4-pyridinyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
CID 72905936
[(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine
CID 129498513
(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)methanamine
CID 121205300
(3aR,9aR)-2-benzyl-5-fluoro-1,3,3a,9a-tetrahydro-[1,4]benzodioxino[2,3-c]pyrrole;hydrochloride
CID 67880524
(3aR,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-9-ol
CID 15391231
[(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 124869795
(3aR,9aS)-2-benzyl-8-fluoro-3,3a,9,9a-tetrahydro-1H-chromeno[2,3-c]pyrrole
CID 22839558
(1-benzyl-3-fluoroazetidin-3-yl)methanol
CID 146012965

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol?
The IUPAC name of (2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol (CID 131676554) is (2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol.
What is the SMILES notation for (2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol?
The canonical SMILES for (2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol is OCC12COc3cccc(F)c3C1CN(Cc1ccccc1)C2.
What is the InChIKey of (2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol?
The InChIKey is DWWZCQAJBKGGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-16-7-4-8-17-18(16)15-10-21(9-14-5-2-1-3-6-14)11-19(15,12-22)13-23-17/h1-8,15,22H,9-13H2.
What are the key properties of (2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol?
(2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol has a molecular weight of 313.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-9-fluoro-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl)methanol is sourced from PubChem (CID 131676554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).