6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine

C10H11FO2 — CID 175038395

IUPAC6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
SMILESFCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C10H11FO2/c11-4-3-8-1-2-9-10(7-8)13-6-5-12-9/h1-2,7H,3-6H2
InChIKeyCKVWFXYXVHMSHK-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.97
Rot. Bonds2

About 6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine

6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 175038395) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
PubChem CID175038395
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
SMILESFCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C10H11FO2/c11-4-3-8-1-2-9-10(7-8)13-6-5-12-9/h1-2,7H,3-6H2
InChIKeyCKVWFXYXVHMSHK-UHFFFAOYSA-N
XLogP1.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
CID 117043729
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine
CID 115226007
3-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,1-diol
CID 163584472
3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanethioamide
CID 82080478
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)thiohydroxylamine
CID 163890520
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpropan-1-amine
CID 143221337
6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine
CID 18786561
17-hexyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 12543485
14-octadecyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 102066946
[(1S)-1,3-bis(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium
CID 7195788
11,24-diethyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
CID 3355803
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 115513458

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine (CID 175038395) is 6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine is FCCc1ccc2c(c1)OCCO2.
What is the InChIKey of 6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is CKVWFXYXVHMSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c11-4-3-8-1-2-9-10(7-8)13-6-5-12-9/h1-2,7H,3-6H2.
What are the key properties of 6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine?
6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 182.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 175038395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).