2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol

C17H18F2O2 — CID 114934981

IUPAC2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol
SMILESOCC(CO)(Cc1ccccc1)Cc1c(F)cccc1F
InChIInChI=1S/C17H18F2O2/c18-15-7-4-8-16(19)14(15)10-17(11-20,12-21)9-13-5-2-1-3-6-13/h1-8,20-21H,9-12H2
InChIKeyLFWOTUYRCSJDKV-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.72
Rot. Bonds6

About 2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol

2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol (PubChem CID 114934981) has the molecular formula C17H18F2O2 and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol
PubChem CID114934981
Molecular FormulaC17H18F2O2
Molecular Weight292.32 g/mol
Exact Mass292.13
IUPAC Name2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol
SMILESOCC(CO)(Cc1ccccc1)Cc1c(F)cccc1F
InChIInChI=1S/C17H18F2O2/c18-15-7-4-8-16(19)14(15)10-17(11-20,12-21)9-13-5-2-1-3-6-13/h1-8,20-21H,9-12H2
InChIKeyLFWOTUYRCSJDKV-UHFFFAOYSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-2-ethylpropane-1,3-diol
CID 19862076
1-(2,6-difluorophenyl)-2-phenylpropan-2-ol
CID 114930959
2-[(2-chloro-6-fluorophenyl)methyl]-2-propylpropane-1,3-diol
CID 79450730
2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride
CID 117048265
2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507202
2-benzyl-2-(2-methoxyethyl)propane-1,3-diol
CID 79450709
2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol
CID 66060199
2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol
CID 66058091
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 114930965
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
2-benzyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
CID 79450172
1-(2-fluorophenyl)-1,2-diphenylethanol
CID 66572227

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol?
The IUPAC name of 2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol (CID 114934981) is 2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol?
The canonical SMILES for 2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol is OCC(CO)(Cc1ccccc1)Cc1c(F)cccc1F.
What is the InChIKey of 2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol?
The InChIKey is LFWOTUYRCSJDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c18-15-7-4-8-16(19)14(15)10-17(11-20,12-21)9-13-5-2-1-3-6-13/h1-8,20-21H,9-12H2.
What are the key properties of 2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol?
2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol has a molecular weight of 292.32 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol is sourced from PubChem (CID 114934981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).