8-fluoro-1,4-dihydrochromeno[3,4-d]pyrazole

C10H7FN2O — CID 44721384

IUPAC8-fluoro-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESFc1ccc2c(c1)-c1[nH]ncc1CO2
InChIInChI=1S/C10H7FN2O/c11-7-1-2-9-8(3-7)10-6(5-14-9)4-12-13-10/h1-4H,5H2,(H,12,13)
InChIKeyAELQBNTZBTYVAK-UHFFFAOYSA-N
MW190.18 g/mol
LogP2.11
Rot. Bonds

About 8-fluoro-1,4-dihydrochromeno[3,4-d]pyrazole

8-fluoro-1,4-dihydrochromeno[3,4-d]pyrazole (PubChem CID 44721384) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 8-fluoro-1,4-dihydrochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name8-fluoro-1,4-dihydrochromeno[3,4-d]pyrazole
PubChem CID44721384
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name8-fluoro-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESFc1ccc2c(c1)-c1[nH]ncc1CO2
InChIInChI=1S/C10H7FN2O/c11-7-1-2-9-8(3-7)10-6(5-14-9)4-12-13-10/h1-4H,5H2,(H,12,13)
InChIKeyAELQBNTZBTYVAK-UHFFFAOYSA-N
XLogP2.11
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1,4-dihydrochromeno[3,4-d]pyrazole?
The IUPAC name of 8-fluoro-1,4-dihydrochromeno[3,4-d]pyrazole (CID 44721384) is 8-fluoro-1,4-dihydrochromeno[3,4-d]pyrazole.
What is the SMILES notation for 8-fluoro-1,4-dihydrochromeno[3,4-d]pyrazole?
The canonical SMILES for 8-fluoro-1,4-dihydrochromeno[3,4-d]pyrazole is Fc1ccc2c(c1)-c1[nH]ncc1CO2.
What is the InChIKey of 8-fluoro-1,4-dihydrochromeno[3,4-d]pyrazole?
The InChIKey is AELQBNTZBTYVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c11-7-1-2-9-8(3-7)10-6(5-14-9)4-12-13-10/h1-4H,5H2,(H,12,13).
What are the key properties of 8-fluoro-1,4-dihydrochromeno[3,4-d]pyrazole?
8-fluoro-1,4-dihydrochromeno[3,4-d]pyrazole has a molecular weight of 190.18 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1,4-dihydrochromeno[3,4-d]pyrazole is sourced from PubChem (CID 44721384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).