ethyl 2-(6'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-yl)acetate

C18H20FNO4 — CID 67405868

IUPACethyl 2-(6'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-yl)acetate
SMILESCCOC(=O)Cn1c2c(c3cc(F)ccc31)CC1(CC2)OCCO1
InChIInChI=1S/C18H20FNO4/c1-2-22-17(21)11-20-15-4-3-12(19)9-13(15)14-10-18(6-5-16(14)20)23-7-8-24-18/h3-4,9H,2,5-8,10-11H2,1H3
InChIKeyJWKUUMPHMZBKAI-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.58
Rot. Bonds3

About ethyl 2-(6'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-yl)acetate

ethyl 2-(6'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-yl)acetate (PubChem CID 67405868) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is ethyl 2-(6'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-yl)acetate
PubChem CID67405868
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC Nameethyl 2-(6'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-yl)acetate
SMILESCCOC(=O)Cn1c2c(c3cc(F)ccc31)CC1(CC2)OCCO1
InChIInChI=1S/C18H20FNO4/c1-2-22-17(21)11-20-15-4-3-12(19)9-13(15)14-10-18(6-5-16(14)20)23-7-8-24-18/h3-4,9H,2,5-8,10-11H2,1H3
InChIKeyJWKUUMPHMZBKAI-UHFFFAOYSA-N
XLogP2.58
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-yl)acetate?
The IUPAC name of ethyl 2-(6'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-yl)acetate (CID 67405868) is ethyl 2-(6'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-yl)acetate.
What is the SMILES notation for ethyl 2-(6'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-yl)acetate?
The canonical SMILES for ethyl 2-(6'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-yl)acetate is CCOC(=O)Cn1c2c(c3cc(F)ccc31)CC1(CC2)OCCO1.
What is the InChIKey of ethyl 2-(6'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-yl)acetate?
The InChIKey is JWKUUMPHMZBKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-2-22-17(21)11-20-15-4-3-12(19)9-13(15)14-10-18(6-5-16(14)20)23-7-8-24-18/h3-4,9H,2,5-8,10-11H2,1H3.
What are the key properties of ethyl 2-(6'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-yl)acetate?
ethyl 2-(6'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-yl)acetate has a molecular weight of 333.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-carbazole]-9'-yl)acetate is sourced from PubChem (CID 67405868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).