2-chloro-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

C9H8ClF3N2 — CID 130966863

IUPAC2-chloro-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)(F)C1CCc2nc(Cl)ncc2C1
InChIInChI=1S/C9H8ClF3N2/c10-8-14-4-5-3-6(9(11,12)13)1-2-7(5)15-8/h4,6H,1-3H2
InChIKeyBKXMNENZRNHDIJ-UHFFFAOYSA-N
MW236.62 g/mol
LogP2.80
Rot. Bonds

About 2-chloro-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

2-chloro-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 130966863) has the molecular formula C9H8ClF3N2 and a molecular weight of 236.62 g/mol. Its IUPAC name is 2-chloro-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-chloro-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID130966863
Molecular FormulaC9H8ClF3N2
Molecular Weight236.62 g/mol
Exact Mass236.03
IUPAC Name2-chloro-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)(F)C1CCc2nc(Cl)ncc2C1
InChIInChI=1S/C9H8ClF3N2/c10-8-14-4-5-3-6(9(11,12)13)1-2-7(5)15-8/h4,6H,1-3H2
InChIKeyBKXMNENZRNHDIJ-UHFFFAOYSA-N
XLogP2.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.62
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-chloro-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (CID 130966863) is 2-chloro-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-chloro-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-chloro-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is FC(F)(F)C1CCc2nc(Cl)ncc2C1.
What is the InChIKey of 2-chloro-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is BKXMNENZRNHDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2/c10-8-14-4-5-3-6(9(11,12)13)1-2-7(5)15-8/h4,6H,1-3H2.
What are the key properties of 2-chloro-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
2-chloro-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 236.62 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 130966863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).