1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-cinnoline

C10H11F3N2 — CID 66846251

IUPAC1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-cinnoline
SMILESCN1NCCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H11F3N2/c1-15-9-6-8(10(11,12)13)3-2-7(9)4-5-14-15/h2-3,6,14H,4-5H2,1H3
InChIKeyXHJMOAVAWJRDGY-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.20
Rot. Bonds

About 1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-cinnoline

1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-cinnoline (PubChem CID 66846251) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-cinnoline.

Molecular Properties

Compound Name1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-cinnoline
PubChem CID66846251
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-cinnoline
SMILESCN1NCCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H11F3N2/c1-15-9-6-8(10(11,12)13)3-2-7(9)4-5-14-15/h2-3,6,14H,4-5H2,1H3
InChIKeyXHJMOAVAWJRDGY-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-cinnoline?
The IUPAC name of 1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-cinnoline (CID 66846251) is 1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-cinnoline.
What is the SMILES notation for 1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-cinnoline?
The canonical SMILES for 1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-cinnoline is CN1NCCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-cinnoline?
The InChIKey is XHJMOAVAWJRDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-15-9-6-8(10(11,12)13)3-2-7(9)4-5-14-15/h2-3,6,14H,4-5H2,1H3.
What are the key properties of 1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-cinnoline?
1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-cinnoline has a molecular weight of 216.21 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-cinnoline is sourced from PubChem (CID 66846251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).