8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane

C14H19F3N2 — CID 177201817

IUPAC8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane
SMILESCC.CC.Cc1ncnc2c(C(F)F)cc(F)cc12
InChIInChI=1S/C10H7F3N2.2C2H6/c1-5-7-2-6(11)3-8(10(12)13)9(7)15-4-14-5;2*1-2/h2-4,10H,1H3;2*1-2H3
InChIKeyBAZGXLDPPOKWBX-UHFFFAOYSA-N
MW272.31 g/mol
LogP5.07
Rot. Bonds1

About 8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane

8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane (PubChem CID 177201817) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane.

Molecular Properties

Compound Name8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane
PubChem CID177201817
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane
SMILESCC.CC.Cc1ncnc2c(C(F)F)cc(F)cc12
InChIInChI=1S/C10H7F3N2.2C2H6/c1-5-7-2-6(11)3-8(10(12)13)9(7)15-4-14-5;2*1-2/h2-4,10H,1H3;2*1-2H3
InChIKeyBAZGXLDPPOKWBX-UHFFFAOYSA-N
XLogP5.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.31
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane?
The IUPAC name of 8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane (CID 177201817) is 8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane.
What is the SMILES notation for 8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane?
The canonical SMILES for 8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane is CC.CC.Cc1ncnc2c(C(F)F)cc(F)cc12.
What is the InChIKey of 8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane?
The InChIKey is BAZGXLDPPOKWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2.2C2H6/c1-5-7-2-6(11)3-8(10(12)13)9(7)15-4-14-5;2*1-2/h2-4,10H,1H3;2*1-2H3.
What are the key properties of 8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane?
8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane has a molecular weight of 272.31 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane is sourced from PubChem (CID 177201817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).