2,2-difluoro-1,1,3-triphenylpropan-1-ol

C21H18F2O — CID 54590336

IUPAC2,2-difluoro-1,1,3-triphenylpropan-1-ol
SMILESOC(c1ccccc1)(c1ccccc1)C(F)(F)Cc1ccccc1
InChIInChI=1S/C21H18F2O/c22-20(23,16-17-10-4-1-5-11-17)21(24,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,24H,16H2
InChIKeyRPZIFEXOKMTDMM-UHFFFAOYSA-N
MW324.37 g/mol
LogP4.80
Rot. Bonds5

About 2,2-difluoro-1,1,3-triphenylpropan-1-ol

2,2-difluoro-1,1,3-triphenylpropan-1-ol (PubChem CID 54590336) has the molecular formula C21H18F2O and a molecular weight of 324.37 g/mol. Its IUPAC name is 2,2-difluoro-1,1,3-triphenylpropan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-1,1,3-triphenylpropan-1-ol
PubChem CID54590336
Molecular FormulaC21H18F2O
Molecular Weight324.37 g/mol
Exact Mass324.13
IUPAC Name2,2-difluoro-1,1,3-triphenylpropan-1-ol
SMILESOC(c1ccccc1)(c1ccccc1)C(F)(F)Cc1ccccc1
InChIInChI=1S/C21H18F2O/c22-20(23,16-17-10-4-1-5-11-17)21(24,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,24H,16H2
InChIKeyRPZIFEXOKMTDMM-UHFFFAOYSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,1,3-triphenylpropan-1-ol?
The IUPAC name of 2,2-difluoro-1,1,3-triphenylpropan-1-ol (CID 54590336) is 2,2-difluoro-1,1,3-triphenylpropan-1-ol.
What is the SMILES notation for 2,2-difluoro-1,1,3-triphenylpropan-1-ol?
The canonical SMILES for 2,2-difluoro-1,1,3-triphenylpropan-1-ol is OC(c1ccccc1)(c1ccccc1)C(F)(F)Cc1ccccc1.
What is the InChIKey of 2,2-difluoro-1,1,3-triphenylpropan-1-ol?
The InChIKey is RPZIFEXOKMTDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2O/c22-20(23,16-17-10-4-1-5-11-17)21(24,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,24H,16H2.
What are the key properties of 2,2-difluoro-1,1,3-triphenylpropan-1-ol?
2,2-difluoro-1,1,3-triphenylpropan-1-ol has a molecular weight of 324.37 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,1,3-triphenylpropan-1-ol is sourced from PubChem (CID 54590336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).