2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol

C12H14F2O2 — CID 11064187

IUPAC2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol
SMILESC=C(CC(CO)CO)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2O2/c1-8(4-9(6-15)7-16)11-3-2-10(13)5-12(11)14/h2-3,5,9,15-16H,1,4,6-7H2
InChIKeyWOLIKRXEOQATPC-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.97
Rot. Bonds5

About 2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol

2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol (PubChem CID 11064187) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol
PubChem CID11064187
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol
SMILESC=C(CC(CO)CO)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2O2/c1-8(4-9(6-15)7-16)11-3-2-10(13)5-12(11)14/h2-3,5,9,15-16H,1,4,6-7H2
InChIKeyWOLIKRXEOQATPC-UHFFFAOYSA-N
XLogP1.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol?
The IUPAC name of 2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol (CID 11064187) is 2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol is C=C(CC(CO)CO)c1ccc(F)cc1F.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol?
The InChIKey is WOLIKRXEOQATPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-8(4-9(6-15)7-16)11-3-2-10(13)5-12(11)14/h2-3,5,9,15-16H,1,4,6-7H2.
What are the key properties of 2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol?
2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol has a molecular weight of 228.24 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol is sourced from PubChem (CID 11064187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).