2,4-dichloro-7-(1,1-difluoroethyl)quinazoline

C10H6Cl2F2N2 — CID 155368683

IUPAC2,4-dichloro-7-(1,1-difluoroethyl)quinazoline
SMILESCC(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1
InChIInChI=1S/C10H6Cl2F2N2/c1-10(13,14)5-2-3-6-7(4-5)15-9(12)16-8(6)11/h2-4H,1H3
InChIKeyNBRTZDLWNHYUFN-UHFFFAOYSA-N
MW263.07 g/mol
LogP4.05
Rot. Bonds1

About 2,4-dichloro-7-(1,1-difluoroethyl)quinazoline

2,4-dichloro-7-(1,1-difluoroethyl)quinazoline (PubChem CID 155368683) has the molecular formula C10H6Cl2F2N2 and a molecular weight of 263.07 g/mol. Its IUPAC name is 2,4-dichloro-7-(1,1-difluoroethyl)quinazoline.

Molecular Properties

Compound Name2,4-dichloro-7-(1,1-difluoroethyl)quinazoline
PubChem CID155368683
Molecular FormulaC10H6Cl2F2N2
Molecular Weight263.07 g/mol
Exact Mass261.99
IUPAC Name2,4-dichloro-7-(1,1-difluoroethyl)quinazoline
SMILESCC(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1
InChIInChI=1S/C10H6Cl2F2N2/c1-10(13,14)5-2-3-6-7(4-5)15-9(12)16-8(6)11/h2-4H,1H3
InChIKeyNBRTZDLWNHYUFN-UHFFFAOYSA-N
XLogP4.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.07
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-(1,1-difluoroethyl)quinazoline?
The IUPAC name of 2,4-dichloro-7-(1,1-difluoroethyl)quinazoline (CID 155368683) is 2,4-dichloro-7-(1,1-difluoroethyl)quinazoline.
What is the SMILES notation for 2,4-dichloro-7-(1,1-difluoroethyl)quinazoline?
The canonical SMILES for 2,4-dichloro-7-(1,1-difluoroethyl)quinazoline is CC(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1.
What is the InChIKey of 2,4-dichloro-7-(1,1-difluoroethyl)quinazoline?
The InChIKey is NBRTZDLWNHYUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F2N2/c1-10(13,14)5-2-3-6-7(4-5)15-9(12)16-8(6)11/h2-4H,1H3.
What are the key properties of 2,4-dichloro-7-(1,1-difluoroethyl)quinazoline?
2,4-dichloro-7-(1,1-difluoroethyl)quinazoline has a molecular weight of 263.07 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-(1,1-difluoroethyl)quinazoline is sourced from PubChem (CID 155368683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).