[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol

C11H12F2O3 — CID 84693364

IUPAC[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol
SMILESCC(F)(F)c1cc2c(cc1CO)OCCO2
InChIInChI=1S/C11H12F2O3/c1-11(12,13)8-5-10-9(4-7(8)6-14)15-2-3-16-10/h4-5,14H,2-3,6H2,1H3
InChIKeySGSZIQUZWCQXNR-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.06
Rot. Bonds2

About [6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol

[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol (PubChem CID 84693364) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is [6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol.

Molecular Properties

Compound Name[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol
PubChem CID84693364
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol
SMILESCC(F)(F)c1cc2c(cc1CO)OCCO2
InChIInChI=1S/C11H12F2O3/c1-11(12,13)8-5-10-9(4-7(8)6-14)15-2-3-16-10/h4-5,14H,2-3,6H2,1H3
InChIKeySGSZIQUZWCQXNR-UHFFFAOYSA-N
XLogP2.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(1,1-difluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]ethanol
CID 117398994
2-[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethanamine
CID 84703800
2-[7-(1,1-difluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]-2-methylpropan-1-ol
CID 117461744
1-[6-(1,1-difluoroethyl)-1,3-benzodioxol-5-yl]-N-methylmethanamine
CID 84692547
2-[[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]pyrrolidine
CID 117455379
1-[7-(1,1-difluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]-N-methoxymethanamine
CID 117435444
6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
CID 84691739
2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 84687648
O-[2-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethyl]hydroxylamine
CID 117391049
2-amino-1-[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethanone
CID 117395826
6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxine-7-carbonitrile
CID 117322689
2-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropan-1-ol
CID 117379576

Frequently Asked Questions

What is the IUPAC name of [6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol?
The IUPAC name of [6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol (CID 84693364) is [6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol.
What is the SMILES notation for [6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol?
The canonical SMILES for [6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol is CC(F)(F)c1cc2c(cc1CO)OCCO2.
What is the InChIKey of [6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol?
The InChIKey is SGSZIQUZWCQXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-11(12,13)8-5-10-9(4-7(8)6-14)15-2-3-16-10/h4-5,14H,2-3,6H2,1H3.
What are the key properties of [6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol?
[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol has a molecular weight of 230.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol is sourced from PubChem (CID 84693364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).