4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol

C11H11FO4 — CID 117324891

IUPAC4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
SMILESOc1c(CC2(O)CC2)cc2c(c1F)OCO2
InChIInChI=1S/C11H11FO4/c12-8-9(13)6(4-11(14)1-2-11)3-7-10(8)16-5-15-7/h3,13-14H,1-2,4-5H2
InChIKeyMTHCVNNNYOKKSE-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.33
Rot. Bonds2

About 4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol

4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol (PubChem CID 117324891) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is 4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
PubChem CID117324891
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
SMILESOc1c(CC2(O)CC2)cc2c(c1F)OCO2
InChIInChI=1S/C11H11FO4/c12-8-9(13)6(4-11(14)1-2-11)3-7-10(8)16-5-15-7/h3,13-14H,1-2,4-5H2
InChIKeyMTHCVNNNYOKKSE-UHFFFAOYSA-N
XLogP1.33
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117363608
1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117466681
6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117297255
6-(2-aminoethyl)-4-fluoro-1,3-benzodioxol-5-ol
CID 117288236
1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117314173
3-(7-fluoro-6-hydroxy-1,3-benzodioxol-5-yl)propanal
CID 117302558
4-fluoro-6-[(methoxyamino)methyl]-1,3-benzodioxol-5-ol
CID 117306213
4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol
CID 117385671
1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol
CID 117317884
4-chloro-2-fluoro-6-[(1-hydroxycyclopropyl)methyl]phenol
CID 117308613
6-[1-(aminomethyl)cyclohexyl]-4-fluoro-1,3-benzodioxol-5-ol
CID 117421572
4-fluoro-6-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-ol
CID 117385663

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol?
The IUPAC name of 4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol (CID 117324891) is 4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol.
What is the SMILES notation for 4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol?
The canonical SMILES for 4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol is Oc1c(CC2(O)CC2)cc2c(c1F)OCO2.
What is the InChIKey of 4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol?
The InChIKey is MTHCVNNNYOKKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c12-8-9(13)6(4-11(14)1-2-11)3-7-10(8)16-5-15-7/h3,13-14H,1-2,4-5H2.
What are the key properties of 4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol?
4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol has a molecular weight of 226.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol is sourced from PubChem (CID 117324891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).