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

C16H15BrF2O2 — CID 79445085

IUPAC2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
SMILESOCC(CO)(Cc1ccc(F)cc1Br)c1cccc(F)c1
InChIInChI=1S/C16H15BrF2O2/c17-15-7-14(19)5-4-11(15)8-16(9-20,10-21)12-2-1-3-13(18)6-12/h1-7,20-21H,8-10H2
InChIKeyGXEWSHARLMWDOL-UHFFFAOYSA-N
MW357.19 g/mol
LogP3.19
Rot. Bonds5

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

2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol (PubChem CID 79445085) has the molecular formula C16H15BrF2O2 and a molecular weight of 357.19 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
PubChem CID79445085
Molecular FormulaC16H15BrF2O2
Molecular Weight357.19 g/mol
Exact Mass356.02
IUPAC Name2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
SMILESOCC(CO)(Cc1ccc(F)cc1Br)c1cccc(F)c1
InChIInChI=1S/C16H15BrF2O2/c17-15-7-14(19)5-4-11(15)8-16(9-20,10-21)12-2-1-3-13(18)6-12/h1-7,20-21H,8-10H2
InChIKeyGXEWSHARLMWDOL-UHFFFAOYSA-N
XLogP3.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507116
2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
CID 107310874
2-[(4-bromo-2-fluorophenyl)methyl]-2-(3-methylphenyl)propane-1,3-diol
CID 79444863
2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106506992
2-bromo-1-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-4-fluorobenzene
CID 79446810
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
CID 79445087
1-[3-bromo-2-(bromomethyl)-2-(3-fluorophenyl)propyl]-4-chloro-2-fluorobenzene
CID 114862293
2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol
CID 79445073
1-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-2,4-difluorobenzene
CID 79444930
2-[(3-bromophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
CID 79450772
2-(3-fluorophenyl)-2-methylpropane-1,3-diol
CID 79450508
2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507097

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol (CID 79445085) is 2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol is OCC(CO)(Cc1ccc(F)cc1Br)c1cccc(F)c1.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol?
The InChIKey is GXEWSHARLMWDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2O2/c17-15-7-14(19)5-4-11(15)8-16(9-20,10-21)12-2-1-3-13(18)6-12/h1-7,20-21H,8-10H2.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol?
2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol has a molecular weight of 357.19 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol is sourced from PubChem (CID 79445085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).