4-chloro-7,8-difluoroquinazoline

C8H3ClF2N2 — CID 86811537

IUPAC4-chloro-7,8-difluoroquinazoline
SMILESFc1ccc2c(Cl)ncnc2c1F
InChIInChI=1S/C8H3ClF2N2/c9-8-4-1-2-5(10)6(11)7(4)12-3-13-8/h1-3H
InChIKeyUEPYIHBJTMLTEF-UHFFFAOYSA-N
MW200.58 g/mol
LogP2.56
Rot. Bonds

About 4-chloro-7,8-difluoroquinazoline

4-chloro-7,8-difluoroquinazoline (PubChem CID 86811537) has the molecular formula C8H3ClF2N2 and a molecular weight of 200.58 g/mol. Its IUPAC name is 4-chloro-7,8-difluoroquinazoline.

Molecular Properties

Compound Name4-chloro-7,8-difluoroquinazoline
PubChem CID86811537
Molecular FormulaC8H3ClF2N2
Molecular Weight200.58 g/mol
Exact Mass200.00
IUPAC Name4-chloro-7,8-difluoroquinazoline
SMILESFc1ccc2c(Cl)ncnc2c1F
InChIInChI=1S/C8H3ClF2N2/c9-8-4-1-2-5(10)6(11)7(4)12-3-13-8/h1-3H
InChIKeyUEPYIHBJTMLTEF-UHFFFAOYSA-N
XLogP2.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.58
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7,8-difluoroquinazoline?
The IUPAC name of 4-chloro-7,8-difluoroquinazoline (CID 86811537) is 4-chloro-7,8-difluoroquinazoline.
What is the SMILES notation for 4-chloro-7,8-difluoroquinazoline?
The canonical SMILES for 4-chloro-7,8-difluoroquinazoline is Fc1ccc2c(Cl)ncnc2c1F.
What is the InChIKey of 4-chloro-7,8-difluoroquinazoline?
The InChIKey is UEPYIHBJTMLTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF2N2/c9-8-4-1-2-5(10)6(11)7(4)12-3-13-8/h1-3H.
What are the key properties of 4-chloro-7,8-difluoroquinazoline?
4-chloro-7,8-difluoroquinazoline has a molecular weight of 200.58 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7,8-difluoroquinazoline is sourced from PubChem (CID 86811537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).