5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole

C10H10FNO2 — CID 10219795

IUPAC5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole
SMILESFc1cccc2c1OC1CNCC1O2
InChIInChI=1S/C10H10FNO2/c11-6-2-1-3-7-10(6)14-9-5-12-4-8(9)13-7/h1-3,8-9,12H,4-5H2
InChIKeyXSOUHEXVEOQRKJ-UHFFFAOYSA-N
MW195.19 g/mol
LogP0.94
Rot. Bonds

About 5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole

5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole (PubChem CID 10219795) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole.

Molecular Properties

Compound Name5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole
PubChem CID10219795
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole
SMILESFc1cccc2c1OC1CNCC1O2
InChIInChI=1S/C10H10FNO2/c11-6-2-1-3-7-10(6)14-9-5-12-4-8(9)13-7/h1-3,8-9,12H,4-5H2
InChIKeyXSOUHEXVEOQRKJ-UHFFFAOYSA-N
XLogP0.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,9aS)-5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole;dihydrochloride
CID 155712838
bis((3aS,9aS)-5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole);hydrate;dihydrochloride
CID 23724909
(3aR,9aR)-2-benzyl-5-fluoro-1,3,3a,9a-tetrahydro-[1,4]benzodioxino[2,3-c]pyrrole;hydrochloride
CID 67880524
5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine
CID 70302520
(5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 21221000
5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine
CID 174359912
5,6,7,7a-tetrahydro-4aH-[1,4]dioxino[2,3-c]pyrrole-2,3-dione
CID 117274137
(3aR,10bS)-10-fluoro-2,3,3a,4,5,10b-hexahydro-1H-[1]benzoxepino[4,5-c]pyrrole
CID 67168438
(10bS)-10-fluoro-2,3,3a,4,5,10b-hexahydro-1H-[1]benzoxepino[4,5-c]pyrrole
CID 67470966
2-cyclopropyl-6-(2,3-difluorophenyl)morpholine
CID 114059334
2-tert-butyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 84621240
2-tert-butyl-5-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 84621243

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole?
The IUPAC name of 5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole (CID 10219795) is 5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole.
What is the SMILES notation for 5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole?
The canonical SMILES for 5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole is Fc1cccc2c1OC1CNCC1O2.
What is the InChIKey of 5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole?
The InChIKey is XSOUHEXVEOQRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-6-2-1-3-7-10(6)14-9-5-12-4-8(9)13-7/h1-3,8-9,12H,4-5H2.
What are the key properties of 5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole?
5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole has a molecular weight of 195.19 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole is sourced from PubChem (CID 10219795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).