2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol

C16H15F3O2 — CID 79444671

IUPAC2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
SMILESOCC(CO)(Cc1cc(F)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C16H15F3O2/c17-13-3-1-12(2-4-13)16(9-20,10-21)8-11-7-14(18)5-6-15(11)19/h1-7,20-21H,8-10H2
InChIKeyJETREVIESROJTG-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.57
Rot. Bonds5

About 2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol

2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol (PubChem CID 79444671) has the molecular formula C16H15F3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
PubChem CID79444671
Molecular FormulaC16H15F3O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
SMILESOCC(CO)(Cc1cc(F)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C16H15F3O2/c17-13-3-1-12(2-4-13)16(9-20,10-21)8-11-7-14(18)5-6-15(11)19/h1-7,20-21H,8-10H2
InChIKeyJETREVIESROJTG-UHFFFAOYSA-N
XLogP2.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-[(2,5-difluorophenyl)methyl]propane-1,3-diol
CID 79444445
2-[(5-chloro-2-fluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 103051451
2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol
CID 114349965
2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79444639
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-difluorobenzene
CID 79455643
2-[(2,5-difluorophenyl)methyl]-2-ethylbutan-1-ol
CID 66059134
2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol
CID 79444446
2-[(3-bromophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
CID 79450772
1-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 103047472
2-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methyl]propane-1,3-diol
CID 82927101
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
3-(2,5-difluorophenyl)-2,2-difluoropropanoic acid
CID 116838238

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol?
The IUPAC name of 2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol (CID 79444671) is 2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol?
The canonical SMILES for 2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol is OCC(CO)(Cc1cc(F)ccc1F)c1ccc(F)cc1.
What is the InChIKey of 2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol?
The InChIKey is JETREVIESROJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2/c17-13-3-1-12(2-4-13)16(9-20,10-21)8-11-7-14(18)5-6-15(11)19/h1-7,20-21H,8-10H2.
What are the key properties of 2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol?
2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol has a molecular weight of 296.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol is sourced from PubChem (CID 79444671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).