4-chloro-5,6,7,8-tetrafluoroquinazoline

C8HClF4N2 — CID 34179176

IUPAC4-chloro-5,6,7,8-tetrafluoroquinazoline
SMILESFc1c(F)c(F)c2c(Cl)ncnc2c1F
InChIInChI=1S/C8HClF4N2/c9-8-2-3(10)4(11)5(12)6(13)7(2)14-1-15-8/h1H
InChIKeyQBXLZCMKEQJLPY-UHFFFAOYSA-N
MW236.56 g/mol
LogP2.84
Rot. Bonds

About 4-chloro-5,6,7,8-tetrafluoroquinazoline

4-chloro-5,6,7,8-tetrafluoroquinazoline (PubChem CID 34179176) has the molecular formula C8HClF4N2 and a molecular weight of 236.56 g/mol. Its IUPAC name is 4-chloro-5,6,7,8-tetrafluoroquinazoline.

Molecular Properties

Compound Name4-chloro-5,6,7,8-tetrafluoroquinazoline
PubChem CID34179176
Molecular FormulaC8HClF4N2
Molecular Weight236.56 g/mol
Exact Mass235.98
IUPAC Name4-chloro-5,6,7,8-tetrafluoroquinazoline
SMILESFc1c(F)c(F)c2c(Cl)ncnc2c1F
InChIInChI=1S/C8HClF4N2/c9-8-2-3(10)4(11)5(12)6(13)7(2)14-1-15-8/h1H
InChIKeyQBXLZCMKEQJLPY-UHFFFAOYSA-N
XLogP2.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.56
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6,7,8-tetrafluoroquinazoline?
The IUPAC name of 4-chloro-5,6,7,8-tetrafluoroquinazoline (CID 34179176) is 4-chloro-5,6,7,8-tetrafluoroquinazoline.
What is the SMILES notation for 4-chloro-5,6,7,8-tetrafluoroquinazoline?
The canonical SMILES for 4-chloro-5,6,7,8-tetrafluoroquinazoline is Fc1c(F)c(F)c2c(Cl)ncnc2c1F.
What is the InChIKey of 4-chloro-5,6,7,8-tetrafluoroquinazoline?
The InChIKey is QBXLZCMKEQJLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HClF4N2/c9-8-2-3(10)4(11)5(12)6(13)7(2)14-1-15-8/h1H.
What are the key properties of 4-chloro-5,6,7,8-tetrafluoroquinazoline?
4-chloro-5,6,7,8-tetrafluoroquinazoline has a molecular weight of 236.56 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6,7,8-tetrafluoroquinazoline is sourced from PubChem (CID 34179176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).