3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one

C10H5F3INO — CID 102537545

IUPAC3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1c(I)c[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C10H5F3INO/c11-10(12,13)6-3-1-2-5-8(6)15-4-7(14)9(5)16/h1-4H,(H,15,16)
InChIKeyCWCCGTJCAGQVPC-UHFFFAOYSA-N
MW339.05 g/mol
LogP3.15
Rot. Bonds

About 3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one

3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 102537545) has the molecular formula C10H5F3INO and a molecular weight of 339.05 g/mol. Its IUPAC name is 3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID102537545
Molecular FormulaC10H5F3INO
Molecular Weight339.05 g/mol
Exact Mass338.94
IUPAC Name3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1c(I)c[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C10H5F3INO/c11-10(12,13)6-3-1-2-5-8(6)15-4-7(14)9(5)16/h1-4H,(H,15,16)
InChIKeyCWCCGTJCAGQVPC-UHFFFAOYSA-N
XLogP3.15
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.05
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one (CID 102537545) is 3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one is O=c1c(I)c[nH]c2c(C(F)(F)F)cccc12.
What is the InChIKey of 3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is CWCCGTJCAGQVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3INO/c11-10(12,13)6-3-1-2-5-8(6)15-4-7(14)9(5)16/h1-4H,(H,15,16).
What are the key properties of 3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one?
3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 339.05 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 102537545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).