2-[(4-fluorooxan-4-yl)methyl]-1,3-dihydroisoindole

C14H18FNO — CID 151959655

IUPAC2-[(4-fluorooxan-4-yl)methyl]-1,3-dihydroisoindole
SMILESFC1(CN2Cc3ccccc3C2)CCOCC1
InChIInChI=1S/C14H18FNO/c15-14(5-7-17-8-6-14)11-16-9-12-3-1-2-4-13(12)10-16/h1-4H,5-11H2
InChIKeyTYJJIWACJYJYSF-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.52
Rot. Bonds2

About 2-[(4-fluorooxan-4-yl)methyl]-1,3-dihydroisoindole

2-[(4-fluorooxan-4-yl)methyl]-1,3-dihydroisoindole (PubChem CID 151959655) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-[(4-fluorooxan-4-yl)methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[(4-fluorooxan-4-yl)methyl]-1,3-dihydroisoindole
PubChem CID151959655
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-[(4-fluorooxan-4-yl)methyl]-1,3-dihydroisoindole
SMILESFC1(CN2Cc3ccccc3C2)CCOCC1
InChIInChI=1S/C14H18FNO/c15-14(5-7-17-8-6-14)11-16-9-12-3-1-2-4-13(12)10-16/h1-4H,5-11H2
InChIKeyTYJJIWACJYJYSF-UHFFFAOYSA-N
XLogP2.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isoindoline, 2-(3-morpholinopropyl)-
CID 18524
Isoindolium, 2-methyl-2-(3-(4-methyl-4-morpholinio)propyl)-, diiodide
CID 18525
N-benzyl-2-fluoro-N-methyl-1-(oxan-4-yl)ethanamine
CID 177853339
isoindolin-2-yl(tetrahydro-2H-pyran-4-yl)methanone
CID 122244977
2-(1-Fluorocyclohexa-2,4-dien-1-yl)-1,3-dihydroisoindole
CID 22638353
5-Fluoro-6-(tetrahydro-pyran-4-yl)-2,3-dihydro-1H-isoindole
CID 57753505
(1S,5R)-3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 66803069
3-Benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 77169624
1-(4-Fluoro-1,3-dihydroisoindol-2-yl)ethenolate
CID 91130966
(4-Fluoro-1,3-dihydroisoindol-2-yl)methanol
CID 123566912
2-(Fluoromethyl)-1,3-dihydroisoindole
CID 137409203
(2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol
CID 141040580

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorooxan-4-yl)methyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[(4-fluorooxan-4-yl)methyl]-1,3-dihydroisoindole (CID 151959655) is 2-[(4-fluorooxan-4-yl)methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[(4-fluorooxan-4-yl)methyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[(4-fluorooxan-4-yl)methyl]-1,3-dihydroisoindole is FC1(CN2Cc3ccccc3C2)CCOCC1.
What is the InChIKey of 2-[(4-fluorooxan-4-yl)methyl]-1,3-dihydroisoindole?
The InChIKey is TYJJIWACJYJYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-14(5-7-17-8-6-14)11-16-9-12-3-1-2-4-13(12)10-16/h1-4H,5-11H2.
What are the key properties of 2-[(4-fluorooxan-4-yl)methyl]-1,3-dihydroisoindole?
2-[(4-fluorooxan-4-yl)methyl]-1,3-dihydroisoindole has a molecular weight of 235.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorooxan-4-yl)methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 151959655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).