(9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol

C14H10F2O2 — CID 23635452

IUPAC(9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol
SMILESO[C@@H]1c2ccc(F)cc2-c2cc(F)ccc2[C@H]1O
InChIInChI=1S/C14H10F2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6,13-14,17-18H/t13-,14-/m1/s1
InChIKeyNXJVFVVRZMLTQQ-ZIAGYGMSSA-N
MW248.23 g/mol
LogP2.71
Rot. Bonds

About (9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol

(9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol (PubChem CID 23635452) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is (9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol.

Molecular Properties

Compound Name(9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol
PubChem CID23635452
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name(9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol
SMILESO[C@@H]1c2ccc(F)cc2-c2cc(F)ccc2[C@H]1O
InChIInChI=1S/C14H10F2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6,13-14,17-18H/t13-,14-/m1/s1
InChIKeyNXJVFVVRZMLTQQ-ZIAGYGMSSA-N
XLogP2.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol?
The IUPAC name of (9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol (CID 23635452) is (9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol.
What is the SMILES notation for (9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol?
The canonical SMILES for (9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol is O[C@@H]1c2ccc(F)cc2-c2cc(F)ccc2[C@H]1O.
What is the InChIKey of (9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol?
The InChIKey is NXJVFVVRZMLTQQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H10F2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6,13-14,17-18H/t13-,14-/m1/s1.
What are the key properties of (9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol?
(9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol has a molecular weight of 248.23 g/mol, XLogP of 2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol is sourced from PubChem (CID 23635452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).