1-carbazol-9-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol

C20H17F8NO2 — CID 3129563

IUPAC1-carbazol-9-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol
SMILESOC(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C20H17F8NO2/c21-17(22)19(25,26)20(27,28)18(23,24)11-31-10-12(30)9-29-15-7-3-1-5-13(15)14-6-2-4-8-16(14)29/h1-8,12,17,30H,9-11H2
InChIKeyBKQACYCBLLJVJL-UHFFFAOYSA-N
MW455.35 g/mol
LogP5.34
Rot. Bonds9

About 1-carbazol-9-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol

1-carbazol-9-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol (PubChem CID 3129563) has the molecular formula C20H17F8NO2 and a molecular weight of 455.35 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol
PubChem CID3129563
Molecular FormulaC20H17F8NO2
Molecular Weight455.35 g/mol
Exact Mass455.11
IUPAC Name1-carbazol-9-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol
SMILESOC(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C20H17F8NO2/c21-17(22)19(25,26)20(27,28)18(23,24)11-31-10-12(30)9-29-15-7-3-1-5-13(15)14-6-2-4-8-16(14)29/h1-8,12,17,30H,9-11H2
InChIKeyBKQACYCBLLJVJL-UHFFFAOYSA-N
XLogP5.34
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.35
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol (CID 3129563) is 1-carbazol-9-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol is OC(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol?
The InChIKey is BKQACYCBLLJVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F8NO2/c21-17(22)19(25,26)20(27,28)18(23,24)11-31-10-12(30)9-29-15-7-3-1-5-13(15)14-6-2-4-8-16(14)29/h1-8,12,17,30H,9-11H2.
What are the key properties of 1-carbazol-9-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol?
1-carbazol-9-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol has a molecular weight of 455.35 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol is sourced from PubChem (CID 3129563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).