6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole

C11H8F3NO — CID 65335500

IUPAC6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole
SMILESFc1cc(F)c2[nH]c3c(c2c1F)COCC3
InChIInChI=1S/C11H8F3NO/c12-6-3-7(13)11-9(10(6)14)5-4-16-2-1-8(5)15-11/h3,15H,1-2,4H2
InChIKeyHXNOHHKKCIZLSP-UHFFFAOYSA-N
MW227.18 g/mol
LogP2.66
Rot. Bonds

About 6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole

6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole (PubChem CID 65335500) has the molecular formula C11H8F3NO and a molecular weight of 227.18 g/mol. Its IUPAC name is 6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole.

Molecular Properties

Compound Name6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole
PubChem CID65335500
Molecular FormulaC11H8F3NO
Molecular Weight227.18 g/mol
Exact Mass227.06
IUPAC Name6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole
SMILESFc1cc(F)c2[nH]c3c(c2c1F)COCC3
InChIInChI=1S/C11H8F3NO/c12-6-3-7(13)11-9(10(6)14)5-4-16-2-1-8(5)15-11/h3,15H,1-2,4H2
InChIKeyHXNOHHKKCIZLSP-UHFFFAOYSA-N
XLogP2.66
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole?
The IUPAC name of 6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole (CID 65335500) is 6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole.
What is the SMILES notation for 6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole?
The canonical SMILES for 6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole is Fc1cc(F)c2[nH]c3c(c2c1F)COCC3.
What is the InChIKey of 6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole?
The InChIKey is HXNOHHKKCIZLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c12-6-3-7(13)11-9(10(6)14)5-4-16-2-1-8(5)15-11/h3,15H,1-2,4H2.
What are the key properties of 6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole?
6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole has a molecular weight of 227.18 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole is sourced from PubChem (CID 65335500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).