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

Name: 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₉F₃N₂ — CID 53443582

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID	53443582
Molecular Formula	C₉H₉F₃N₂
Molecular Weight	202.18 g/mol
Exact Mass	202.07
IUPAC Name	4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILES	FC(F)(F)c1ncnc2c1CCCC2
InChI	InChI=1S/C9H9F3N2/c10-9(11,12)8-6-3-1-2-4-7(6)13-5-14-8/h5H,1-4H2
InChIKey	PJMNBUWJAIKOHS-UHFFFAOYSA-N
XLogP	2.37
TPSA	25.78 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	202.18
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 53443582 — identifiers, structure, computed properties (public domain)

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