(5S,7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol

C9H9F3N2O — CID 97036538

IUPAC(5S,7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol
SMILESO[C@H]1C[C@H](C(F)(F)F)Cc2ncncc21
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)5-1-7-6(8(15)2-5)3-13-4-14-7/h3-5,8,15H,1-2H2/t5-,8+/m1/s1
InChIKeyNUQFAOLYAZFSFQ-XRGYYRRGSA-N
MW218.18 g/mol
LogP1.63
Rot. Bonds

About (5S,7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol

(5S,7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol (PubChem CID 97036538) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is (5S,7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol.

Molecular Properties

Compound Name(5S,7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol
PubChem CID97036538
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name(5S,7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol
SMILESO[C@H]1C[C@H](C(F)(F)F)Cc2ncncc21
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)5-1-7-6(8(15)2-5)3-13-4-14-7/h3-5,8,15H,1-2H2/t5-,8+/m1/s1
InChIKeyNUQFAOLYAZFSFQ-XRGYYRRGSA-N
XLogP1.63
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol?
The IUPAC name of (5S,7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol (CID 97036538) is (5S,7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol.
What is the SMILES notation for (5S,7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol?
The canonical SMILES for (5S,7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol is O[C@H]1C[C@H](C(F)(F)F)Cc2ncncc21.
What is the InChIKey of (5S,7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol?
The InChIKey is NUQFAOLYAZFSFQ-XRGYYRRGSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)5-1-7-6(8(15)2-5)3-13-4-14-7/h3-5,8,15H,1-2H2/t5-,8+/m1/s1.
What are the key properties of (5S,7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol?
(5S,7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol has a molecular weight of 218.18 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-5-ol is sourced from PubChem (CID 97036538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).