2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol

C10H10ClFO3 — CID 105424287

IUPAC2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol
SMILESCC(F)(CO)c1cc2c(cc1Cl)OCO2
InChIInChI=1S/C10H10ClFO3/c1-10(12,4-13)6-2-8-9(3-7(6)11)15-5-14-8/h2-3,13H,4-5H2,1H3
InChIKeyIEPRZXLGIITIEN-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.25
Rot. Bonds2

About 2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol

2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol (PubChem CID 105424287) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is 2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol.

Molecular Properties

Compound Name2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol
PubChem CID105424287
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Name2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol
SMILESCC(F)(CO)c1cc2c(cc1Cl)OCO2
InChIInChI=1S/C10H10ClFO3/c1-10(12,4-13)6-2-8-9(3-7(6)11)15-5-14-8/h2-3,13H,4-5H2,1H3
InChIKeyIEPRZXLGIITIEN-UHFFFAOYSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-1,3-benzodioxol-5-yl)-2,2-difluoroethanol
CID 105424288
2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropanoic acid
CID 105424271
2-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
CID 105424248
3-(6-chloro-1,3-benzodioxol-5-yl)-3-methylbutanoic acid
CID 117394868
2-(6-chloro-4H-1,3-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117358844
1,3-benzodioxole-5,6-diamine;4-chloro-5-(trifluoromethyl)benzene-1,2-diamine
CID 157094804
2-(6-methoxy-1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 117321978
1-[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]propan-2-ol
CID 117353229
5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole
CID 84710382
[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol
CID 84693364
3-[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]-3-methylbutanoic acid
CID 117453604
5-chloro-6-ethyl-1,3-benzodioxole;ethane
CID 176955593

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol?
The IUPAC name of 2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol (CID 105424287) is 2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol.
What is the SMILES notation for 2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol?
The canonical SMILES for 2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol is CC(F)(CO)c1cc2c(cc1Cl)OCO2.
What is the InChIKey of 2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol?
The InChIKey is IEPRZXLGIITIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3/c1-10(12,4-13)6-2-8-9(3-7(6)11)15-5-14-8/h2-3,13H,4-5H2,1H3.
What are the key properties of 2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol?
2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol has a molecular weight of 232.64 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol is sourced from PubChem (CID 105424287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).