1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol

C11H11FO4 — CID 117324895

IUPAC1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol
SMILESCOc1c(C2(O)CC2)cc2c(c1F)OCO2
InChIInChI=1S/C11H11FO4/c1-14-9-6(11(13)2-3-11)4-7-10(8(9)12)16-5-15-7/h4,13H,2-3,5H2,1H3
InChIKeyDAGHCZSMVJWKDP-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.54
Rot. Bonds2

About 1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol

1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol (PubChem CID 117324895) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is 1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol
PubChem CID117324895
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol
SMILESCOc1c(C2(O)CC2)cc2c(c1F)OCO2
InChIInChI=1S/C11H11FO4/c1-14-9-6(11(13)2-3-11)4-7-10(8(9)12)16-5-15-7/h4,13H,2-3,5H2,1H3
InChIKeyDAGHCZSMVJWKDP-UHFFFAOYSA-N
XLogP1.54
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-6-(1-isocyanatocyclopropyl)-5-methoxy-1,3-benzodioxole
CID 117380373
[1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine
CID 117451462
1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol
CID 117462721
6-chloro-2-fluoro-4-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84795724
methyl 6,7-difluoro-1,3-benzodioxole-5-carboxylate
CID 19754855
1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84789967
3-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)butan-1-amine
CID 117354821
1-[6-(1,1-difluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol
CID 117357117
1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol
CID 117321549
5-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117383164
1-(6-chloro-1,3-benzodioxol-4-yl)cyclopropan-1-ol
CID 117303319
4,5-dimethoxy-6-methyl-1,3-benzodioxole
CID 59720306

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol?
The IUPAC name of 1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol (CID 117324895) is 1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol is COc1c(C2(O)CC2)cc2c(c1F)OCO2.
What is the InChIKey of 1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol?
The InChIKey is DAGHCZSMVJWKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c1-14-9-6(11(13)2-3-11)4-7-10(8(9)12)16-5-15-7/h4,13H,2-3,5H2,1H3.
What are the key properties of 1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol?
1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol has a molecular weight of 226.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol is sourced from PubChem (CID 117324895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).