1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol

C12H14F2O3 — CID 103547378

IUPAC1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
SMILESOC(Cc1cc(F)ccc1F)CC1OCCO1
InChIInChI=1S/C12H14F2O3/c13-9-1-2-11(14)8(5-9)6-10(15)7-12-16-3-4-17-12/h1-2,5,10,12,15H,3-4,6-7H2
InChIKeyALBOPPHXRNNPLZ-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.63
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol

1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol (PubChem CID 103547378) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
PubChem CID103547378
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
SMILESOC(Cc1cc(F)ccc1F)CC1OCCO1
InChIInChI=1S/C12H14F2O3/c13-9-1-2-11(14)8(5-9)6-10(15)7-12-16-3-4-17-12/h1-2,5,10,12,15H,3-4,6-7H2
InChIKeyALBOPPHXRNNPLZ-UHFFFAOYSA-N
XLogP1.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547417
1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol
CID 103547351
1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547608
1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol
CID 103456708
1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol
CID 79954433
3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol
CID 114982150
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 65350986
1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol
CID 64560809
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352627
1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol
CID 116660061
1-(2,5-difluorophenyl)octan-2-ol
CID 63901614
2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 114982036

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol (CID 103547378) is 1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol is OC(Cc1cc(F)ccc1F)CC1OCCO1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol?
The InChIKey is ALBOPPHXRNNPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c13-9-1-2-11(14)8(5-9)6-10(15)7-12-16-3-4-17-12/h1-2,5,10,12,15H,3-4,6-7H2.
What are the key properties of 1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol?
1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol has a molecular weight of 244.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol is sourced from PubChem (CID 103547378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).