2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate

C18H15F4NO3 — CID 159405342

IUPAC2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate
SMILESCC(F)(F)C(F)(F)OCCOC(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C18H15F4NO3/c1-17(19,20)18(21,22)26-11-10-25-16(24)23-14-8-4-2-6-12(14)13-7-3-5-9-15(13)23/h2-9H,10-11H2,1H3
InChIKeyOIRUALPTVBUDFQ-UHFFFAOYSA-N
MW369.31 g/mol
LogP5.04
Rot. Bonds5

About 2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate

2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate (PubChem CID 159405342) has the molecular formula C18H15F4NO3 and a molecular weight of 369.31 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate
PubChem CID159405342
Molecular FormulaC18H15F4NO3
Molecular Weight369.31 g/mol
Exact Mass369.10
IUPAC Name2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate
SMILESCC(F)(F)C(F)(F)OCCOC(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C18H15F4NO3/c1-17(19,20)18(21,22)26-11-10-25-16(24)23-14-8-4-2-6-12(14)13-7-3-5-9-15(13)23/h2-9H,10-11H2,1H3
InChIKeyOIRUALPTVBUDFQ-UHFFFAOYSA-N
XLogP5.04
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.31
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate?
The IUPAC name of 2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate (CID 159405342) is 2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate?
The canonical SMILES for 2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate is CC(F)(F)C(F)(F)OCCOC(=O)n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate?
The InChIKey is OIRUALPTVBUDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO3/c1-17(19,20)18(21,22)26-11-10-25-16(24)23-14-8-4-2-6-12(14)13-7-3-5-9-15(13)23/h2-9H,10-11H2,1H3.
What are the key properties of 2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate?
2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate has a molecular weight of 369.31 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate is sourced from PubChem (CID 159405342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).