3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol

C15H13F3N2O — CID 23086717

IUPAC3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol
SMILESOC1CCCc2nnc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)10-4-1-3-9(7-10)13-8-11-12(19-20-13)5-2-6-14(11)21/h1,3-4,7-8,14,21H,2,5-6H2
InChIKeyFZUNOPQLVQMNTQ-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.53
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol

3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol (PubChem CID 23086717) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol
PubChem CID23086717
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol
SMILESOC1CCCc2nnc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)10-4-1-3-9(7-10)13-8-11-12(19-20-13)5-2-6-14(11)21/h1,3-4,7-8,14,21H,2,5-6H2
InChIKeyFZUNOPQLVQMNTQ-UHFFFAOYSA-N
XLogP3.53
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol (CID 23086717) is 3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol is OC1CCCc2nnc(-c3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol?
The InChIKey is FZUNOPQLVQMNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)10-4-1-3-9(7-10)13-8-11-12(19-20-13)5-2-6-14(11)21/h1,3-4,7-8,14,21H,2,5-6H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol?
3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol has a molecular weight of 294.28 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol is sourced from PubChem (CID 23086717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).