(7R)-5-fluoro-7-(2-phenylethynyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol

C16H11FO — CID 7055773

IUPAC(7R)-5-fluoro-7-(2-phenylethynyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
SMILESO[C@@]1(C#Cc2ccccc2)Cc2cccc(F)c21
InChIInChI=1S/C16H11FO/c17-14-8-4-7-13-11-16(18,15(13)14)10-9-12-5-2-1-3-6-12/h1-8,18H,11H2/t16-/m0/s1
InChIKeyYZJKRVNAWTYIJU-INIZCTEOSA-N
MW238.26 g/mol
LogP2.62
Rot. Bonds

About (7R)-5-fluoro-7-(2-phenylethynyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol

(7R)-5-fluoro-7-(2-phenylethynyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol (PubChem CID 7055773) has the molecular formula C16H11FO and a molecular weight of 238.26 g/mol. Its IUPAC name is (7R)-5-fluoro-7-(2-phenylethynyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol.

Molecular Properties

Compound Name(7R)-5-fluoro-7-(2-phenylethynyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
PubChem CID7055773
Molecular FormulaC16H11FO
Molecular Weight238.26 g/mol
Exact Mass238.08
IUPAC Name(7R)-5-fluoro-7-(2-phenylethynyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
SMILESO[C@@]1(C#Cc2ccccc2)Cc2cccc(F)c21
InChIInChI=1S/C16H11FO/c17-14-8-4-7-13-11-16(18,15(13)14)10-9-12-5-2-1-3-6-12/h1-8,18H,11H2/t16-/m0/s1
InChIKeyYZJKRVNAWTYIJU-INIZCTEOSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7R)-5-fluoro-7-(2-phenylethynyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol?
The IUPAC name of (7R)-5-fluoro-7-(2-phenylethynyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol (CID 7055773) is (7R)-5-fluoro-7-(2-phenylethynyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol.
What is the SMILES notation for (7R)-5-fluoro-7-(2-phenylethynyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol?
The canonical SMILES for (7R)-5-fluoro-7-(2-phenylethynyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol is O[C@@]1(C#Cc2ccccc2)Cc2cccc(F)c21.
What is the InChIKey of (7R)-5-fluoro-7-(2-phenylethynyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol?
The InChIKey is YZJKRVNAWTYIJU-INIZCTEOSA-N. The full InChI is InChI=1S/C16H11FO/c17-14-8-4-7-13-11-16(18,15(13)14)10-9-12-5-2-1-3-6-12/h1-8,18H,11H2/t16-/m0/s1.
What are the key properties of (7R)-5-fluoro-7-(2-phenylethynyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol?
(7R)-5-fluoro-7-(2-phenylethynyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol has a molecular weight of 238.26 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-fluoro-7-(2-phenylethynyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol is sourced from PubChem (CID 7055773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).