3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine

C12H14FNO2 — CID 83822992

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine
SMILESFC1(c2ccc3c(c2)OCCO3)CCNC1
InChIInChI=1S/C12H14FNO2/c13-12(3-4-14-8-12)9-1-2-10-11(7-9)16-6-5-15-10/h1-2,7,14H,3-6,8H2
InChIKeyYCZYDDNDTIOTRE-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.62
Rot. Bonds1

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine (PubChem CID 83822992) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine
PubChem CID83822992
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine
SMILESFC1(c2ccc3c(c2)OCCO3)CCNC1
InChIInChI=1S/C12H14FNO2/c13-12(3-4-14-8-12)9-1-2-10-11(7-9)16-6-5-15-10/h1-2,7,14H,3-6,8H2
InChIKeyYCZYDDNDTIOTRE-UHFFFAOYSA-N
XLogP1.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine
CID 83822990
3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol
CID 63586788
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-3-ol
CID 55213394
4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 59446722
3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine
CID 112564332
3-(3,5-dichlorophenyl)-3-fluoropyrrolidine
CID 25143664
3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine
CID 112564446
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)azepan-4-ol
CID 103982844
(3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547144
3-(1,3-benzodioxol-5-yl)-3-methylpiperidine
CID 82285836
2-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 66465592
bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 19973671

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine (CID 83822992) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine is FC1(c2ccc3c(c2)OCCO3)CCNC1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine?
The InChIKey is YCZYDDNDTIOTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-12(3-4-14-8-12)9-1-2-10-11(7-9)16-6-5-15-10/h1-2,7,14H,3-6,8H2.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine has a molecular weight of 223.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine is sourced from PubChem (CID 83822992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).