6,7-difluoro-1,4-dihydroquinazoline

C8H6F2N2 — CID 175709172

IUPAC6,7-difluoro-1,4-dihydroquinazoline
SMILESFc1cc2c(cc1F)NC=NC2
InChIInChI=1S/C8H6F2N2/c9-6-1-5-3-11-4-12-8(5)2-7(6)10/h1-2,4H,3H2,(H,11,12)
InChIKeyNVDZVKYGWGBGRP-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.92
Rot. Bonds

About 6,7-difluoro-1,4-dihydroquinazoline

6,7-difluoro-1,4-dihydroquinazoline (PubChem CID 175709172) has the molecular formula C8H6F2N2 and a molecular weight of 168.15 g/mol. Its IUPAC name is 6,7-difluoro-1,4-dihydroquinazoline.

Molecular Properties

Compound Name6,7-difluoro-1,4-dihydroquinazoline
PubChem CID175709172
Molecular FormulaC8H6F2N2
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name6,7-difluoro-1,4-dihydroquinazoline
SMILESFc1cc2c(cc1F)NC=NC2
InChIInChI=1S/C8H6F2N2/c9-6-1-5-3-11-4-12-8(5)2-7(6)10/h1-2,4H,3H2,(H,11,12)
InChIKeyNVDZVKYGWGBGRP-UHFFFAOYSA-N
XLogP1.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1,4-dihydroquinazoline?
The IUPAC name of 6,7-difluoro-1,4-dihydroquinazoline (CID 175709172) is 6,7-difluoro-1,4-dihydroquinazoline.
What is the SMILES notation for 6,7-difluoro-1,4-dihydroquinazoline?
The canonical SMILES for 6,7-difluoro-1,4-dihydroquinazoline is Fc1cc2c(cc1F)NC=NC2.
What is the InChIKey of 6,7-difluoro-1,4-dihydroquinazoline?
The InChIKey is NVDZVKYGWGBGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2/c9-6-1-5-3-11-4-12-8(5)2-7(6)10/h1-2,4H,3H2,(H,11,12).
What are the key properties of 6,7-difluoro-1,4-dihydroquinazoline?
6,7-difluoro-1,4-dihydroquinazoline has a molecular weight of 168.15 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1,4-dihydroquinazoline is sourced from PubChem (CID 175709172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).