7-(3-fluoropropyl)-2,3-dihydropyrano[3,2-c]carbazol-4-one

C18H16FNO2 — CID 86273807

IUPAC7-(3-fluoropropyl)-2,3-dihydropyrano[3,2-c]carbazol-4-one
SMILESO=C1CCOc2c1ccc1c2c2ccccc2n1CCCF
InChIInChI=1S/C18H16FNO2/c19-9-3-10-20-14-5-2-1-4-12(14)17-15(20)7-6-13-16(21)8-11-22-18(13)17/h1-2,4-7H,3,8-11H2
InChIKeyWAKIUDBQHXHCFJ-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.12
Rot. Bonds3

About 7-(3-fluoropropyl)-2,3-dihydropyrano[3,2-c]carbazol-4-one

7-(3-fluoropropyl)-2,3-dihydropyrano[3,2-c]carbazol-4-one (PubChem CID 86273807) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 7-(3-fluoropropyl)-2,3-dihydropyrano[3,2-c]carbazol-4-one.

Molecular Properties

Compound Name7-(3-fluoropropyl)-2,3-dihydropyrano[3,2-c]carbazol-4-one
PubChem CID86273807
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name7-(3-fluoropropyl)-2,3-dihydropyrano[3,2-c]carbazol-4-one
SMILESO=C1CCOc2c1ccc1c2c2ccccc2n1CCCF
InChIInChI=1S/C18H16FNO2/c19-9-3-10-20-14-5-2-1-4-12(14)17-15(20)7-6-13-16(21)8-11-22-18(13)17/h1-2,4-7H,3,8-11H2
InChIKeyWAKIUDBQHXHCFJ-UHFFFAOYSA-N
XLogP4.12
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoropropyl)-2,3-dihydropyrano[3,2-c]carbazol-4-one?
The IUPAC name of 7-(3-fluoropropyl)-2,3-dihydropyrano[3,2-c]carbazol-4-one (CID 86273807) is 7-(3-fluoropropyl)-2,3-dihydropyrano[3,2-c]carbazol-4-one.
What is the SMILES notation for 7-(3-fluoropropyl)-2,3-dihydropyrano[3,2-c]carbazol-4-one?
The canonical SMILES for 7-(3-fluoropropyl)-2,3-dihydropyrano[3,2-c]carbazol-4-one is O=C1CCOc2c1ccc1c2c2ccccc2n1CCCF.
What is the InChIKey of 7-(3-fluoropropyl)-2,3-dihydropyrano[3,2-c]carbazol-4-one?
The InChIKey is WAKIUDBQHXHCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c19-9-3-10-20-14-5-2-1-4-12(14)17-15(20)7-6-13-16(21)8-11-22-18(13)17/h1-2,4-7H,3,8-11H2.
What are the key properties of 7-(3-fluoropropyl)-2,3-dihydropyrano[3,2-c]carbazol-4-one?
7-(3-fluoropropyl)-2,3-dihydropyrano[3,2-c]carbazol-4-one has a molecular weight of 297.33 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoropropyl)-2,3-dihydropyrano[3,2-c]carbazol-4-one is sourced from PubChem (CID 86273807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).