(1S,3S,6R)-6-(5-fluoropyrimidin-2-yl)bicyclo[4.1.0]heptan-3-ol

C11H13FN2O — CID 175911523

IUPAC(1S,3S,6R)-6-(5-fluoropyrimidin-2-yl)bicyclo[4.1.0]heptan-3-ol
SMILESO[C@H]1CC[C@@]2(c3ncc(F)cn3)C[C@H]2C1
InChIInChI=1S/C11H13FN2O/c12-8-5-13-10(14-6-8)11-2-1-9(15)3-7(11)4-11/h5-7,9,15H,1-4H2/t7-,9+,11-/m1/s1
InChIKeyZDDRYRZTBWPAAF-POZPLHJXSA-N
MW208.24 g/mol
LogP1.42
Rot. Bonds1

About (1S,3S,6R)-6-(5-fluoropyrimidin-2-yl)bicyclo[4.1.0]heptan-3-ol

(1S,3S,6R)-6-(5-fluoropyrimidin-2-yl)bicyclo[4.1.0]heptan-3-ol (PubChem CID 175911523) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is (1S,3S,6R)-6-(5-fluoropyrimidin-2-yl)bicyclo[4.1.0]heptan-3-ol.

Molecular Properties

Compound Name(1S,3S,6R)-6-(5-fluoropyrimidin-2-yl)bicyclo[4.1.0]heptan-3-ol
PubChem CID175911523
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name(1S,3S,6R)-6-(5-fluoropyrimidin-2-yl)bicyclo[4.1.0]heptan-3-ol
SMILESO[C@H]1CC[C@@]2(c3ncc(F)cn3)C[C@H]2C1
InChIInChI=1S/C11H13FN2O/c12-8-5-13-10(14-6-8)11-2-1-9(15)3-7(11)4-11/h5-7,9,15H,1-4H2/t7-,9+,11-/m1/s1
InChIKeyZDDRYRZTBWPAAF-POZPLHJXSA-N
XLogP1.42
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,6R)-6-(5-fluoropyrimidin-2-yl)bicyclo[4.1.0]heptan-3-ol?
The IUPAC name of (1S,3S,6R)-6-(5-fluoropyrimidin-2-yl)bicyclo[4.1.0]heptan-3-ol (CID 175911523) is (1S,3S,6R)-6-(5-fluoropyrimidin-2-yl)bicyclo[4.1.0]heptan-3-ol.
What is the SMILES notation for (1S,3S,6R)-6-(5-fluoropyrimidin-2-yl)bicyclo[4.1.0]heptan-3-ol?
The canonical SMILES for (1S,3S,6R)-6-(5-fluoropyrimidin-2-yl)bicyclo[4.1.0]heptan-3-ol is O[C@H]1CC[C@@]2(c3ncc(F)cn3)C[C@H]2C1.
What is the InChIKey of (1S,3S,6R)-6-(5-fluoropyrimidin-2-yl)bicyclo[4.1.0]heptan-3-ol?
The InChIKey is ZDDRYRZTBWPAAF-POZPLHJXSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-8-5-13-10(14-6-8)11-2-1-9(15)3-7(11)4-11/h5-7,9,15H,1-4H2/t7-,9+,11-/m1/s1.
What are the key properties of (1S,3S,6R)-6-(5-fluoropyrimidin-2-yl)bicyclo[4.1.0]heptan-3-ol?
(1S,3S,6R)-6-(5-fluoropyrimidin-2-yl)bicyclo[4.1.0]heptan-3-ol has a molecular weight of 208.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,6R)-6-(5-fluoropyrimidin-2-yl)bicyclo[4.1.0]heptan-3-ol is sourced from PubChem (CID 175911523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).