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

C16H15ClF2O2 — CID 102621542

IUPAC2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
SMILESOCC(CO)(Cc1cc(F)ccc1Cl)c1ccccc1F
InChIInChI=1S/C16H15ClF2O2/c17-14-6-5-12(18)7-11(14)8-16(9-20,10-21)13-3-1-2-4-15(13)19/h1-7,20-21H,8-10H2
InChIKeyNWAMBACOWFUACI-UHFFFAOYSA-N
MW312.74 g/mol
LogP3.08
Rot. Bonds5

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

2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol (PubChem CID 102621542) has the molecular formula C16H15ClF2O2 and a molecular weight of 312.74 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
PubChem CID102621542
Molecular FormulaC16H15ClF2O2
Molecular Weight312.74 g/mol
Exact Mass312.07
IUPAC Name2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
SMILESOCC(CO)(Cc1cc(F)ccc1Cl)c1ccccc1F
InChIInChI=1S/C16H15ClF2O2/c17-14-6-5-12(18)7-11(14)8-16(9-20,10-21)13-3-1-2-4-15(13)19/h1-7,20-21H,8-10H2
InChIKeyNWAMBACOWFUACI-UHFFFAOYSA-N
XLogP3.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507193
2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol
CID 102621164
2-(aminomethyl)-3-(2-chlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507262
2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508157
2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol
CID 105376102
2-(aminomethyl)-3-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507264
2-[(2,5-difluorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79444639
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol
CID 79447250
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1-chloro-4-fluorobenzene
CID 102621610
2-[(3,4-dimethylphenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 79445475
2-[3-bromo-2-(bromomethyl)-2-(2-chlorophenyl)propyl]-1,4-difluorobenzene
CID 79446654
2-(4-chlorophenyl)-2-[(2,5-difluorophenyl)methyl]propane-1,3-diol
CID 79444445

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol (CID 102621542) is 2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol is OCC(CO)(Cc1cc(F)ccc1Cl)c1ccccc1F.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol?
The InChIKey is NWAMBACOWFUACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2O2/c17-14-6-5-12(18)7-11(14)8-16(9-20,10-21)13-3-1-2-4-15(13)19/h1-7,20-21H,8-10H2.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol?
2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol has a molecular weight of 312.74 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol is sourced from PubChem (CID 102621542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).