1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol

C12H13FO3 — CID 117321549

IUPAC1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol
SMILESCC(F)c1cc2c(c(C3(O)CC3)c1)OCO2
InChIInChI=1S/C12H13FO3/c1-7(13)8-4-9(12(14)2-3-12)11-10(5-8)15-6-16-11/h4-5,7,14H,2-3,6H2,1H3
InChIKeyHMMITFNUTQDTSX-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.43
Rot. Bonds2

About 1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol

1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol (PubChem CID 117321549) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol
PubChem CID117321549
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol
SMILESCC(F)c1cc2c(c(C3(O)CC3)c1)OCO2
InChIInChI=1S/C12H13FO3/c1-7(13)8-4-9(12(14)2-3-12)11-10(5-8)15-6-16-11/h4-5,7,14H,2-3,6H2,1H3
InChIKeyHMMITFNUTQDTSX-UHFFFAOYSA-N
XLogP2.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropyl]ethanamine
CID 117381299
2-[1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropyl]acetic acid
CID 117419408
1-[6-(1,1-difluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol
CID 117357117
1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol
CID 117303319
2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]acetonitrile
CID 84779364
1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol
CID 117284693
4-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]butanoic acid
CID 117388533
O-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine
CID 117326465
3-amino-3-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]propanoic acid
CID 117390641
1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]-2-(methylamino)ethanone
CID 84701165
7-(1-fluoroethyl)-5-(1-isocyanatocyclopropyl)-2,3-dihydro-1,4-benzodioxine
CID 117412135
[1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine
CID 117426300

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol?
The IUPAC name of 1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol (CID 117321549) is 1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol is CC(F)c1cc2c(c(C3(O)CC3)c1)OCO2.
What is the InChIKey of 1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol?
The InChIKey is HMMITFNUTQDTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-7(13)8-4-9(12(14)2-3-12)11-10(5-8)15-6-16-11/h4-5,7,14H,2-3,6H2,1H3.
What are the key properties of 1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol?
1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol has a molecular weight of 224.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol is sourced from PubChem (CID 117321549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).