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

C9H8ClF3N2 — CID 19383098

IUPAC4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)(F)c1nc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C9H8ClF3N2/c10-7-5-3-1-2-4-6(5)14-8(15-7)9(11,12)13/h1-4H2
InChIKeyDTHAKNGFEUESEH-UHFFFAOYSA-N
MW236.62 g/mol
LogP3.03
Rot. Bonds

About 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 19383098) has the molecular formula C9H8ClF3N2 and a molecular weight of 236.62 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID19383098
Molecular FormulaC9H8ClF3N2
Molecular Weight236.62 g/mol
Exact Mass236.03
IUPAC Name4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)(F)c1nc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C9H8ClF3N2/c10-7-5-3-1-2-4-6(5)14-8(15-7)9(11,12)13/h1-4H2
InChIKeyDTHAKNGFEUESEH-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (CID 19383098) is 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is FC(F)(F)c1nc(Cl)c2c(n1)CCCC2.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is DTHAKNGFEUESEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2/c10-7-5-3-1-2-4-6(5)14-8(15-7)9(11,12)13/h1-4H2.
What are the key properties of 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 236.62 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 19383098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).