4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline

C10H6ClF3N2 — CID 114589887

IUPAC4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline
SMILESCc1ccc(F)c2c(Cl)nc(C(F)F)nc12
InChIInChI=1S/C10H6ClF3N2/c1-4-2-3-5(12)6-7(4)15-10(9(13)14)16-8(6)11/h2-3,9H,1H3
InChIKeyKXFGZPGTDUYLGV-UHFFFAOYSA-N
MW246.62 g/mol
LogP3.67
Rot. Bonds1

About 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline

4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline (PubChem CID 114589887) has the molecular formula C10H6ClF3N2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline
PubChem CID114589887
Molecular FormulaC10H6ClF3N2
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline
SMILESCc1ccc(F)c2c(Cl)nc(C(F)F)nc12
InChIInChI=1S/C10H6ClF3N2/c1-4-2-3-5(12)6-7(4)15-10(9(13)14)16-8(6)11/h2-3,9H,1H3
InChIKeyKXFGZPGTDUYLGV-UHFFFAOYSA-N
XLogP3.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline
CID 62891436
2-chloro-5-fluoro-4,8-dimethylquinazoline
CID 130051303
4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline
CID 114589862
4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline
CID 106860924
2-chloro-5-fluoro-8-methylquinazolin-4-amine
CID 130051304
4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine
CID 89394919
6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline
CID 114590969
4-chloro-5-fluoro-3,8-dimethylquinoline
CID 171373227
4-chloro-8-fluoro-2,3,5-trimethylquinoline
CID 60996951
2-chloro-3-ethyl-5-fluoro-8-methylquinazolin-4-one
CID 114693088
4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine
CID 176860729
8-bromo-4-chloro-2-(difluoromethyl)quinazoline
CID 114590784

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline?
The IUPAC name of 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline (CID 114589887) is 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline is Cc1ccc(F)c2c(Cl)nc(C(F)F)nc12.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline?
The InChIKey is KXFGZPGTDUYLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2/c1-4-2-3-5(12)6-7(4)15-10(9(13)14)16-8(6)11/h2-3,9H,1H3.
What are the key properties of 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline?
4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline has a molecular weight of 246.62 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline is sourced from PubChem (CID 114589887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).