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

C10H8F6N2 — CID 12864055

IUPAC2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)(F)c1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C10H8F6N2/c11-9(12,13)7-5-3-1-2-4-6(5)17-8(18-7)10(14,15)16/h1-4H2
InChIKeyCJBGZGODPTUJMK-UHFFFAOYSA-N
MW270.18 g/mol
LogP3.39
Rot. Bonds

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

2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 12864055) has the molecular formula C10H8F6N2 and a molecular weight of 270.18 g/mol. Its IUPAC name is 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID12864055
Molecular FormulaC10H8F6N2
Molecular Weight270.18 g/mol
Exact Mass270.06
IUPAC Name2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)(F)c1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C10H8F6N2/c11-9(12,13)7-5-3-1-2-4-6(5)17-8(18-7)10(14,15)16/h1-4H2
InChIKeyCJBGZGODPTUJMK-UHFFFAOYSA-N
XLogP3.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (CID 12864055) is 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is FC(F)(F)c1nc2c(c(C(F)(F)F)n1)CCCC2.
What is the InChIKey of 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is CJBGZGODPTUJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2/c11-9(12,13)7-5-3-1-2-4-6(5)17-8(18-7)10(14,15)16/h1-4H2.
What are the key properties of 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 270.18 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 12864055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).