3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine

C11H13FO2 — CID 84666894

IUPAC3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine
SMILESCC(C)(F)C1COc2ccccc2O1
InChIInChI=1S/C11H13FO2/c1-11(2,12)10-7-13-8-5-3-4-6-9(8)14-10/h3-6,10H,7H2,1-2H3
InChIKeyKHCQXFRZRLDXDB-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.57
Rot. Bonds1

About 3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine

3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 84666894) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine
PubChem CID84666894
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine
SMILESCC(C)(F)C1COc2ccccc2O1
InChIInChI=1S/C11H13FO2/c1-11(2,12)10-7-13-8-5-3-4-6-9(8)14-10/h3-6,10H,7H2,1-2H3
InChIKeyKHCQXFRZRLDXDB-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol
CID 84665334
3-tert-butyl-2,3-dihydro-1,4-benzodioxine;3-tert-butyl-2,3-dihydrobenzo[g][1,4]benzodioxine;ethane;methane
CID 160744755
3-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
CID 22015999
(3R)-3-(trifluoromethylsulfanyl)-2,3-dihydro-1,4-benzodioxine
CID 125483606
(3S)-N-methyl-2,3-dihydro-1,4-benzodioxin-3-amine
CID 94841715
(3R)-3-[(2S)-oxiran-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 12736709
3-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
CID 84691748
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,2,2-trifluoroethanamine
CID 54892953
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79793283
3-(1-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 91622126
(3R)-3-(2-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 92980685

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine (CID 84666894) is 3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine is CC(C)(F)C1COc2ccccc2O1.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is KHCQXFRZRLDXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-11(2,12)10-7-13-8-5-3-4-6-9(8)14-10/h3-6,10H,7H2,1-2H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine?
3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 196.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 84666894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).