2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol

C12H14F2O3 — CID 117362154

IUPAC2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol
SMILESCC(CO)c1cc2c(cc1C(F)F)OCCO2
InChIInChI=1S/C12H14F2O3/c1-7(6-15)8-4-10-11(17-3-2-16-10)5-9(8)12(13)14/h4-5,7,12,15H,2-3,6H2,1H3
InChIKeyOHVUGRRMSRCHJL-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.49
Rot. Bonds3

About 2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol

2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol (PubChem CID 117362154) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol
PubChem CID117362154
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol
SMILESCC(CO)c1cc2c(cc1C(F)F)OCCO2
InChIInChI=1S/C12H14F2O3/c1-7(6-15)8-4-10-11(17-3-2-16-10)5-9(8)12(13)14/h4-5,7,12,15H,2-3,6H2,1H3
InChIKeyOHVUGRRMSRCHJL-UHFFFAOYSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 105424219
2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-ol
CID 117325368
8-(1-hydroxypropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117321995
1-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-2-ol
CID 117362158
17,18-di(butan-2-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 4222961
2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 105424279
2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117488073
3-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)butanethioamide
CID 83922500
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117297535
7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298496
2-(6-bromospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)propan-1-ol
CID 117481854
6-fluoro-7-[1-(3-methyloxiran-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922551

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol?
The IUPAC name of 2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol (CID 117362154) is 2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol.
What is the SMILES notation for 2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol?
The canonical SMILES for 2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol is CC(CO)c1cc2c(cc1C(F)F)OCCO2.
What is the InChIKey of 2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol?
The InChIKey is OHVUGRRMSRCHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-7(6-15)8-4-10-11(17-3-2-16-10)5-9(8)12(13)14/h4-5,7,12,15H,2-3,6H2,1H3.
What are the key properties of 2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol?
2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol has a molecular weight of 244.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol is sourced from PubChem (CID 117362154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).