(1R,3R)-2,2-difluoro-1,3-dinaphthalen-2-ylpropane-1,3-diol

C23H18F2O2 — CID 12982382

IUPAC(1R,3R)-2,2-difluoro-1,3-dinaphthalen-2-ylpropane-1,3-diol
SMILESO[C@H](c1ccc2ccccc2c1)C(F)(F)[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C23H18F2O2/c24-23(25,21(26)19-11-9-15-5-1-3-7-17(15)13-19)22(27)20-12-10-16-6-2-4-8-18(16)14-20/h1-14,21-22,26-27H/t21-,22-/m1/s1
InChIKeyVQORPYBGLSQHBS-FGZHOGPDSA-N
MW364.39 g/mol
LogP5.40
Rot. Bonds4

About (1R,3R)-2,2-difluoro-1,3-dinaphthalen-2-ylpropane-1,3-diol

(1R,3R)-2,2-difluoro-1,3-dinaphthalen-2-ylpropane-1,3-diol (PubChem CID 12982382) has the molecular formula C23H18F2O2 and a molecular weight of 364.39 g/mol. Its IUPAC name is (1R,3R)-2,2-difluoro-1,3-dinaphthalen-2-ylpropane-1,3-diol.

Molecular Properties

Compound Name(1R,3R)-2,2-difluoro-1,3-dinaphthalen-2-ylpropane-1,3-diol
PubChem CID12982382
Molecular FormulaC23H18F2O2
Molecular Weight364.39 g/mol
Exact Mass364.13
IUPAC Name(1R,3R)-2,2-difluoro-1,3-dinaphthalen-2-ylpropane-1,3-diol
SMILESO[C@H](c1ccc2ccccc2c1)C(F)(F)[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C23H18F2O2/c24-23(25,21(26)19-11-9-15-5-1-3-7-17(15)13-19)22(27)20-12-10-16-6-2-4-8-18(16)14-20/h1-14,21-22,26-27H/t21-,22-/m1/s1
InChIKeyVQORPYBGLSQHBS-FGZHOGPDSA-N
XLogP5.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.39
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3R)-2,2-difluoro-1,3-dinaphthalen-2-ylpropane-1,3-diol?
The IUPAC name of (1R,3R)-2,2-difluoro-1,3-dinaphthalen-2-ylpropane-1,3-diol (CID 12982382) is (1R,3R)-2,2-difluoro-1,3-dinaphthalen-2-ylpropane-1,3-diol.
What is the SMILES notation for (1R,3R)-2,2-difluoro-1,3-dinaphthalen-2-ylpropane-1,3-diol?
The canonical SMILES for (1R,3R)-2,2-difluoro-1,3-dinaphthalen-2-ylpropane-1,3-diol is O[C@H](c1ccc2ccccc2c1)C(F)(F)[C@H](O)c1ccc2ccccc2c1.
What is the InChIKey of (1R,3R)-2,2-difluoro-1,3-dinaphthalen-2-ylpropane-1,3-diol?
The InChIKey is VQORPYBGLSQHBS-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H18F2O2/c24-23(25,21(26)19-11-9-15-5-1-3-7-17(15)13-19)22(27)20-12-10-16-6-2-4-8-18(16)14-20/h1-14,21-22,26-27H/t21-,22-/m1/s1.
What are the key properties of (1R,3R)-2,2-difluoro-1,3-dinaphthalen-2-ylpropane-1,3-diol?
(1R,3R)-2,2-difluoro-1,3-dinaphthalen-2-ylpropane-1,3-diol has a molecular weight of 364.39 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-2,2-difluoro-1,3-dinaphthalen-2-ylpropane-1,3-diol is sourced from PubChem (CID 12982382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).