(5R)-5'-fluoro-4-phenyl-1'-prop-2-enylspiro[furan-5,3'-indole]-2,2'-dione

C20H14FNO3 — CID 166441273

IUPAC(5R)-5'-fluoro-4-phenyl-1'-prop-2-enylspiro[furan-5,3'-indole]-2,2'-dione
SMILESC=CCN1C(=O)[C@]2(OC(=O)C=C2c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C20H14FNO3/c1-2-10-22-17-9-8-14(21)11-16(17)20(19(22)24)15(12-18(23)25-20)13-6-4-3-5-7-13/h2-9,11-12H,1,10H2/t20-/m1/s1
InChIKeyOOOPIUMBBSAZHW-HXUWFJFHSA-N
MW335.33 g/mol
LogP3.19
Rot. Bonds3

About (5R)-5'-fluoro-4-phenyl-1'-prop-2-enylspiro[furan-5,3'-indole]-2,2'-dione

(5R)-5'-fluoro-4-phenyl-1'-prop-2-enylspiro[furan-5,3'-indole]-2,2'-dione (PubChem CID 166441273) has the molecular formula C20H14FNO3 and a molecular weight of 335.33 g/mol. Its IUPAC name is (5R)-5'-fluoro-4-phenyl-1'-prop-2-enylspiro[furan-5,3'-indole]-2,2'-dione.

Molecular Properties

Compound Name(5R)-5'-fluoro-4-phenyl-1'-prop-2-enylspiro[furan-5,3'-indole]-2,2'-dione
PubChem CID166441273
Molecular FormulaC20H14FNO3
Molecular Weight335.33 g/mol
Exact Mass335.10
IUPAC Name(5R)-5'-fluoro-4-phenyl-1'-prop-2-enylspiro[furan-5,3'-indole]-2,2'-dione
SMILESC=CCN1C(=O)[C@]2(OC(=O)C=C2c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C20H14FNO3/c1-2-10-22-17-9-8-14(21)11-16(17)20(19(22)24)15(12-18(23)25-20)13-6-4-3-5-7-13/h2-9,11-12H,1,10H2/t20-/m1/s1
InChIKeyOOOPIUMBBSAZHW-HXUWFJFHSA-N
XLogP3.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5'-fluoro-4-phenyl-1'-prop-2-enylspiro[furan-5,3'-indole]-2,2'-dione?
The IUPAC name of (5R)-5'-fluoro-4-phenyl-1'-prop-2-enylspiro[furan-5,3'-indole]-2,2'-dione (CID 166441273) is (5R)-5'-fluoro-4-phenyl-1'-prop-2-enylspiro[furan-5,3'-indole]-2,2'-dione.
What is the SMILES notation for (5R)-5'-fluoro-4-phenyl-1'-prop-2-enylspiro[furan-5,3'-indole]-2,2'-dione?
The canonical SMILES for (5R)-5'-fluoro-4-phenyl-1'-prop-2-enylspiro[furan-5,3'-indole]-2,2'-dione is C=CCN1C(=O)[C@]2(OC(=O)C=C2c2ccccc2)c2cc(F)ccc21.
What is the InChIKey of (5R)-5'-fluoro-4-phenyl-1'-prop-2-enylspiro[furan-5,3'-indole]-2,2'-dione?
The InChIKey is OOOPIUMBBSAZHW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H14FNO3/c1-2-10-22-17-9-8-14(21)11-16(17)20(19(22)24)15(12-18(23)25-20)13-6-4-3-5-7-13/h2-9,11-12H,1,10H2/t20-/m1/s1.
What are the key properties of (5R)-5'-fluoro-4-phenyl-1'-prop-2-enylspiro[furan-5,3'-indole]-2,2'-dione?
(5R)-5'-fluoro-4-phenyl-1'-prop-2-enylspiro[furan-5,3'-indole]-2,2'-dione has a molecular weight of 335.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5'-fluoro-4-phenyl-1'-prop-2-enylspiro[furan-5,3'-indole]-2,2'-dione is sourced from PubChem (CID 166441273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).