2-(fluoromethyl)-6,6-dimethyl-7,8-dihydro-5H-quinazoline

C11H15FN2 — CID 123768141

IUPAC2-(fluoromethyl)-6,6-dimethyl-7,8-dihydro-5H-quinazoline
SMILESCC1(C)CCc2nc(CF)ncc2C1
InChIInChI=1S/C11H15FN2/c1-11(2)4-3-9-8(5-11)7-13-10(6-12)14-9/h7H,3-6H2,1-2H3
InChIKeyZYPUDBZIZOATCB-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.46
Rot. Bonds1

About 2-(fluoromethyl)-6,6-dimethyl-7,8-dihydro-5H-quinazoline

2-(fluoromethyl)-6,6-dimethyl-7,8-dihydro-5H-quinazoline (PubChem CID 123768141) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-(fluoromethyl)-6,6-dimethyl-7,8-dihydro-5H-quinazoline.

Molecular Properties

Compound Name2-(fluoromethyl)-6,6-dimethyl-7,8-dihydro-5H-quinazoline
PubChem CID123768141
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name2-(fluoromethyl)-6,6-dimethyl-7,8-dihydro-5H-quinazoline
SMILESCC1(C)CCc2nc(CF)ncc2C1
InChIInChI=1S/C11H15FN2/c1-11(2)4-3-9-8(5-11)7-13-10(6-12)14-9/h7H,3-6H2,1-2H3
InChIKeyZYPUDBZIZOATCB-UHFFFAOYSA-N
XLogP2.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-6,6-dimethyl-7,8-dihydro-5H-quinazoline?
The IUPAC name of 2-(fluoromethyl)-6,6-dimethyl-7,8-dihydro-5H-quinazoline (CID 123768141) is 2-(fluoromethyl)-6,6-dimethyl-7,8-dihydro-5H-quinazoline.
What is the SMILES notation for 2-(fluoromethyl)-6,6-dimethyl-7,8-dihydro-5H-quinazoline?
The canonical SMILES for 2-(fluoromethyl)-6,6-dimethyl-7,8-dihydro-5H-quinazoline is CC1(C)CCc2nc(CF)ncc2C1.
What is the InChIKey of 2-(fluoromethyl)-6,6-dimethyl-7,8-dihydro-5H-quinazoline?
The InChIKey is ZYPUDBZIZOATCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-11(2)4-3-9-8(5-11)7-13-10(6-12)14-9/h7H,3-6H2,1-2H3.
What are the key properties of 2-(fluoromethyl)-6,6-dimethyl-7,8-dihydro-5H-quinazoline?
2-(fluoromethyl)-6,6-dimethyl-7,8-dihydro-5H-quinazoline has a molecular weight of 194.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-6,6-dimethyl-7,8-dihydro-5H-quinazoline is sourced from PubChem (CID 123768141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).