benzo[f]quinolin-6-yl trifluoromethanesulfonate

C14H8F3NO3S — CID 10592283

IUPACbenzo[f]quinolin-6-yl trifluoromethanesulfonate
SMILESO=S(=O)(Oc1cc2ncccc2c2ccccc12)C(F)(F)F
InChIInChI=1S/C14H8F3NO3S/c15-14(16,17)22(19,20)21-13-8-12-10(6-3-7-18-12)9-4-1-2-5-11(9)13/h1-8H
InChIKeyUXHGGUMADXEYPN-UHFFFAOYSA-N
MW327.28 g/mol
LogP3.62
Rot. Bonds2

About benzo[f]quinolin-6-yl trifluoromethanesulfonate

benzo[f]quinolin-6-yl trifluoromethanesulfonate (PubChem CID 10592283) has the molecular formula C14H8F3NO3S and a molecular weight of 327.28 g/mol. Its IUPAC name is benzo[f]quinolin-6-yl trifluoromethanesulfonate.

Molecular Properties

Compound Namebenzo[f]quinolin-6-yl trifluoromethanesulfonate
PubChem CID10592283
Molecular FormulaC14H8F3NO3S
Molecular Weight327.28 g/mol
Exact Mass327.02
IUPAC Namebenzo[f]quinolin-6-yl trifluoromethanesulfonate
SMILESO=S(=O)(Oc1cc2ncccc2c2ccccc12)C(F)(F)F
InChIInChI=1S/C14H8F3NO3S/c15-14(16,17)22(19,20)21-13-8-12-10(6-3-7-18-12)9-4-1-2-5-11(9)13/h1-8H
InChIKeyUXHGGUMADXEYPN-UHFFFAOYSA-N
XLogP3.62
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze benzo[f]quinolin-6-yl trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CU-CPT9b
CID 135567366
3-(3-Hydroxyphenyl)quinolin-7-ol
CID 135783365
3-(4-Hydroxyphenyl)quinolin-7-ol
CID 135914665
7,8-Dimethylquinolin-5-ol
CID 153817685
8-Naphthalen-1-ylquinolin-7-ol
CID 137303028
1-(Isoquinolin-1-yl)-2-naphthol trifluoromethanesulfonate
CID 11079942
5-Quinolyl trifluoromethanesulfonate
CID 11471403
Isoquinolin-6-yl trifluoromethanesulfonate
CID 19381795
Methanesulfonic acid, 1,1,1-trifluoro-, 8-isoquinolinyl ester
CID 53408698
Quinolin-7-yl trifluoromethanesulfonate
CID 59296115
3-Phenanthridinol
CID 135484224
(9-Ethyl-10-methylacridin-10-ium-1-yl) trifluoromethanesulfonate
CID 90973825

Frequently Asked Questions

What is the IUPAC name of benzo[f]quinolin-6-yl trifluoromethanesulfonate?
The IUPAC name of benzo[f]quinolin-6-yl trifluoromethanesulfonate (CID 10592283) is benzo[f]quinolin-6-yl trifluoromethanesulfonate.
What is the SMILES notation for benzo[f]quinolin-6-yl trifluoromethanesulfonate?
The canonical SMILES for benzo[f]quinolin-6-yl trifluoromethanesulfonate is O=S(=O)(Oc1cc2ncccc2c2ccccc12)C(F)(F)F.
What is the InChIKey of benzo[f]quinolin-6-yl trifluoromethanesulfonate?
The InChIKey is UXHGGUMADXEYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO3S/c15-14(16,17)22(19,20)21-13-8-12-10(6-3-7-18-12)9-4-1-2-5-11(9)13/h1-8H.
What are the key properties of benzo[f]quinolin-6-yl trifluoromethanesulfonate?
benzo[f]quinolin-6-yl trifluoromethanesulfonate has a molecular weight of 327.28 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f]quinolin-6-yl trifluoromethanesulfonate is sourced from PubChem (CID 10592283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).