(2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione

C19H14FNO3 — CID 73211985

IUPAC(2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione
SMILESO=C1C=CO[C@]2(C1)C(=O)N(Cc1ccccc1)c1c(F)cccc12
InChIInChI=1S/C19H14FNO3/c20-16-8-4-7-15-17(16)21(12-13-5-2-1-3-6-13)18(23)19(15)11-14(22)9-10-24-19/h1-10H,11-12H2/t19-/m0/s1
InChIKeySFFHXUWEKPJAAI-IBGZPJMESA-N
MW323.32 g/mol
LogP3.07
Rot. Bonds2

About (2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione

(2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione (PubChem CID 73211985) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is (2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione
PubChem CID73211985
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name(2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione
SMILESO=C1C=CO[C@]2(C1)C(=O)N(Cc1ccccc1)c1c(F)cccc12
InChIInChI=1S/C19H14FNO3/c20-16-8-4-7-15-17(16)21(12-13-5-2-1-3-6-13)18(23)19(15)11-14(22)9-10-24-19/h1-10H,11-12H2/t19-/m0/s1
InChIKeySFFHXUWEKPJAAI-IBGZPJMESA-N
XLogP3.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione?
The IUPAC name of (2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione (CID 73211985) is (2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione is O=C1C=CO[C@]2(C1)C(=O)N(Cc1ccccc1)c1c(F)cccc12.
What is the InChIKey of (2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione?
The InChIKey is SFFHXUWEKPJAAI-IBGZPJMESA-N. The full InChI is InChI=1S/C19H14FNO3/c20-16-8-4-7-15-17(16)21(12-13-5-2-1-3-6-13)18(23)19(15)11-14(22)9-10-24-19/h1-10H,11-12H2/t19-/m0/s1.
What are the key properties of (2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione?
(2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione has a molecular weight of 323.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-benzyl-7'-fluorospiro[3H-pyran-2,3'-indole]-2',4-dione is sourced from PubChem (CID 73211985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).