1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol

C13H14F2O3 — CID 117393678

IUPAC1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol
SMILESCC(F)(F)c1cc2c(c(C3(O)CC3)c1)OCCO2
InChIInChI=1S/C13H14F2O3/c1-12(14,15)8-6-9(13(16)2-3-13)11-10(7-8)17-4-5-18-11/h6-7,16H,2-5H2,1H3
InChIKeyAYTCSVVIYDYSNX-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.55
Rot. Bonds2

About 1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol

1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol (PubChem CID 117393678) has the molecular formula C13H14F2O3 and a molecular weight of 256.25 g/mol. Its IUPAC name is 1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol
PubChem CID117393678
Molecular FormulaC13H14F2O3
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol
SMILESCC(F)(F)c1cc2c(c(C3(O)CC3)c1)OCCO2
InChIInChI=1S/C13H14F2O3/c1-12(14,15)8-6-9(13(16)2-3-13)11-10(7-8)17-4-5-18-11/h6-7,16H,2-5H2,1H3
InChIKeyAYTCSVVIYDYSNX-UHFFFAOYSA-N
XLogP2.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol with MolForge

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Related Compounds

1-[6-(1,1-difluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol
CID 117357117
[1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropyl]methanamine
CID 117426267
1-[6-(1,1-difluoroethyl)-1,3-benzodioxol-4-yl]cyclopropane-1-carboxylic acid
CID 117428551
[1-[6-(1,1-difluoroethyl)-1,3-benzodioxol-4-yl]cyclopropyl]methanamine
CID 117390776
1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propan-2-amine
CID 117396096
1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]cyclopropan-1-ol
CID 117367345
1-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]cyclopropan-1-ol
CID 117398910
1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol
CID 117303319
1-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
CID 117314195
1-[[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]methyl]cyclopropan-1-amine
CID 117417390
1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol
CID 117321549
1-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-(methylamino)ethanol
CID 117426485

Frequently Asked Questions

What is the IUPAC name of 1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol?
The IUPAC name of 1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol (CID 117393678) is 1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol is CC(F)(F)c1cc2c(c(C3(O)CC3)c1)OCCO2.
What is the InChIKey of 1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol?
The InChIKey is AYTCSVVIYDYSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O3/c1-12(14,15)8-6-9(13(16)2-3-13)11-10(7-8)17-4-5-18-11/h6-7,16H,2-5H2,1H3.
What are the key properties of 1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol?
1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol has a molecular weight of 256.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopropan-1-ol is sourced from PubChem (CID 117393678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).