2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone

C17H10F3NO2 — CID 175841087

IUPAC2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone
SMILESO=C(C1=C(O)c2cccc3c4ccccc4n(c23)C1)C(F)(F)F
InChIInChI=1S/C17H10F3NO2/c18-17(19,20)16(23)12-8-21-13-7-2-1-4-9(13)10-5-3-6-11(14(10)21)15(12)22/h1-7,22H,8H2
InChIKeyPMPTXFFPGCZHCJ-UHFFFAOYSA-N
MW317.27 g/mol
LogP4.21
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone

2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone (PubChem CID 175841087) has the molecular formula C17H10F3NO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone
PubChem CID175841087
Molecular FormulaC17H10F3NO2
Molecular Weight317.27 g/mol
Exact Mass317.07
IUPAC Name2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone
SMILESO=C(C1=C(O)c2cccc3c4ccccc4n(c23)C1)C(F)(F)F
InChIInChI=1S/C17H10F3NO2/c18-17(19,20)16(23)12-8-21-13-7-2-1-4-9(13)10-5-3-6-11(14(10)21)15(12)22/h1-7,22H,8H2
InChIKeyPMPTXFFPGCZHCJ-UHFFFAOYSA-N
XLogP4.21
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone (CID 175841087) is 2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone is O=C(C1=C(O)c2cccc3c4ccccc4n(c23)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone?
The InChIKey is PMPTXFFPGCZHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO2/c18-17(19,20)16(23)12-8-21-13-7-2-1-4-9(13)10-5-3-6-11(14(10)21)15(12)22/h1-7,22H,8H2.
What are the key properties of 2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone?
2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone has a molecular weight of 317.27 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone is sourced from PubChem (CID 175841087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).