(4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione

C19H16FNO4 — CID 98234220

IUPAC(4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
SMILESCC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C19H16FNO4/c1-19(2)17-16(18(23)25-19)11(9-15(22)21-17)14-8-7-13(24-14)10-5-3-4-6-12(10)20/h3-8,11H,9H2,1-2H3,(H,21,22)/t11-/m1/s1
InChIKeyBXYYYBJCZMBFPA-LLVKDONJSA-N
MW341.34 g/mol
LogP3.28
Rot. Bonds2

About (4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione

(4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 98234220) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is (4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
PubChem CID98234220
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Name(4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
SMILESCC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C19H16FNO4/c1-19(2)17-16(18(23)25-19)11(9-15(22)21-17)14-8-7-13(24-14)10-5-3-4-6-12(10)20/h3-8,11H,9H2,1-2H3,(H,21,22)/t11-/m1/s1
InChIKeyBXYYYBJCZMBFPA-LLVKDONJSA-N
XLogP3.28
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 56763327
(4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98234742
(4R)-4-[5-(2-fluorophenyl)furan-2-yl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887537
(4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98233998
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 56698823
(4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98233765
(4R)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98233766
7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 53368870
4-[5-(2-fluorophenyl)furan-2-yl]-3-methyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one
CID 135658473
3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione
CID 77040477
1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632453
2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione
CID 5015439

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of (4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione (CID 98234220) is (4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for (4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for (4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione is CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1ccc(-c2ccccc2F)o1.
What is the InChIKey of (4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is BXYYYBJCZMBFPA-LLVKDONJSA-N. The full InChI is InChI=1S/C19H16FNO4/c1-19(2)17-16(18(23)25-19)11(9-15(22)21-17)14-8-7-13(24-14)10-5-3-4-6-12(10)20/h3-8,11H,9H2,1-2H3,(H,21,22)/t11-/m1/s1.
What are the key properties of (4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
(4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 341.34 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 98234220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).