7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol

C10H11F3N2O — CID 23086709

IUPAC7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol
SMILESCC1Cc2nnc(C(F)(F)F)cc2C(O)C1
InChIInChI=1S/C10H11F3N2O/c1-5-2-7-6(8(16)3-5)4-9(15-14-7)10(11,12)13/h4-5,8,16H,2-3H2,1H3
InChIKeyTVYZWXYILZYFJV-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.11
Rot. Bonds

About 7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol

7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol (PubChem CID 23086709) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol.

Molecular Properties

Compound Name7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol
PubChem CID23086709
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol
SMILESCC1Cc2nnc(C(F)(F)F)cc2C(O)C1
InChIInChI=1S/C10H11F3N2O/c1-5-2-7-6(8(16)3-5)4-9(15-14-7)10(11,12)13/h4-5,8,16H,2-3H2,1H3
InChIKeyTVYZWXYILZYFJV-UHFFFAOYSA-N
XLogP2.11
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol?
The IUPAC name of 7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol (CID 23086709) is 7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol.
What is the SMILES notation for 7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol?
The canonical SMILES for 7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol is CC1Cc2nnc(C(F)(F)F)cc2C(O)C1.
What is the InChIKey of 7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol?
The InChIKey is TVYZWXYILZYFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-5-2-7-6(8(16)3-5)4-9(15-14-7)10(11,12)13/h4-5,8,16H,2-3H2,1H3.
What are the key properties of 7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol?
7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol has a molecular weight of 232.20 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol is sourced from PubChem (CID 23086709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).