[4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol

C14H9Cl2FO3 — CID 69259667

IUPAC[4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol
SMILESOCC1Oc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C14H9Cl2FO3/c15-9-2-1-3-10(16)13(9)8-4-7(17)5-11-14(8)20-12(6-18)19-11/h1-5,12,18H,6H2
InChIKeyPKBVYRDATYUDFI-UHFFFAOYSA-N
MW315.13 g/mol
LogP3.89
Rot. Bonds2

About [4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol

[4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol (PubChem CID 69259667) has the molecular formula C14H9Cl2FO3 and a molecular weight of 315.13 g/mol. Its IUPAC name is [4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol
PubChem CID69259667
Molecular FormulaC14H9Cl2FO3
Molecular Weight315.13 g/mol
Exact Mass313.99
IUPAC Name[4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol
SMILESOCC1Oc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C14H9Cl2FO3/c15-9-2-1-3-10(16)13(9)8-4-7(17)5-11-14(8)20-12(6-18)19-11/h1-5,12,18H,6H2
InChIKeyPKBVYRDATYUDFI-UHFFFAOYSA-N
XLogP3.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol?
The IUPAC name of [4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol (CID 69259667) is [4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol.
What is the SMILES notation for [4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol?
The canonical SMILES for [4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol is OCC1Oc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1.
What is the InChIKey of [4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol?
The InChIKey is PKBVYRDATYUDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO3/c15-9-2-1-3-10(16)13(9)8-4-7(17)5-11-14(8)20-12(6-18)19-11/h1-5,12,18H,6H2.
What are the key properties of [4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol?
[4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol has a molecular weight of 315.13 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol is sourced from PubChem (CID 69259667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).