4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

C9H9F3N2 — CID 53443582

IUPAC4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)(F)c1ncnc2c1CCCC2
InChIInChI=1S/C9H9F3N2/c10-9(11,12)8-6-3-1-2-4-7(6)13-5-14-8/h5H,1-4H2
InChIKeyPJMNBUWJAIKOHS-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.37
Rot. Bonds

About 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 53443582) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID53443582
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)(F)c1ncnc2c1CCCC2
InChIInChI=1S/C9H9F3N2/c10-9(11,12)8-6-3-1-2-4-7(6)13-5-14-8/h5H,1-4H2
InChIKeyPJMNBUWJAIKOHS-UHFFFAOYSA-N
XLogP2.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (CID 53443582) is 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is FC(F)(F)c1ncnc2c1CCCC2.
What is the InChIKey of 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is PJMNBUWJAIKOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c10-9(11,12)8-6-3-1-2-4-7(6)13-5-14-8/h5H,1-4H2.
What are the key properties of 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 202.18 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 53443582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).