5,7-bis(trifluoromethyl)quinazoline

C10H4F6N2 — CID 175829219

IUPAC5,7-bis(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1cc(C(F)(F)F)c2cncnc2c1
InChIInChI=1S/C10H4F6N2/c11-9(12,13)5-1-7(10(14,15)16)6-3-17-4-18-8(6)2-5/h1-4H
InChIKeyLDWYAYZKWRQCRG-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.67
Rot. Bonds

About 5,7-bis(trifluoromethyl)quinazoline

5,7-bis(trifluoromethyl)quinazoline (PubChem CID 175829219) has the molecular formula C10H4F6N2 and a molecular weight of 266.14 g/mol. Its IUPAC name is 5,7-bis(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name5,7-bis(trifluoromethyl)quinazoline
PubChem CID175829219
Molecular FormulaC10H4F6N2
Molecular Weight266.14 g/mol
Exact Mass266.03
IUPAC Name5,7-bis(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1cc(C(F)(F)F)c2cncnc2c1
InChIInChI=1S/C10H4F6N2/c11-9(12,13)5-1-7(10(14,15)16)6-3-17-4-18-8(6)2-5/h1-4H
InChIKeyLDWYAYZKWRQCRG-UHFFFAOYSA-N
XLogP3.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6,7-trifluoroquinazoline
CID 91514521
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
5-(trifluoromethyl)pyrimidine
CID 15273573
7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline
CID 154455736
4-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 118053651
4-bromo-5-(trifluoromethyl)pyrimidine
CID 118816144
6,8-bis(trifluoromethyl)quinazolin-4-amine
CID 175992502
8-bromo-6-(trifluoromethyl)quinazoline
CID 171373809
S-[2,4,6-tris(trifluoromethyl)phenyl]thiohydroxylamine
CID 129295053
1,3,6,8,10,11-hexakis(trifluoromethyl)triphenylene
CID 90327361
5-(trifluoromethyl)pyrimidine-4-carbaldehyde
CID 123604776
1,3,5,7,9,11-hexakis(trifluoromethyl)perylene
CID 90327433

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(trifluoromethyl)quinazoline?
The IUPAC name of 5,7-bis(trifluoromethyl)quinazoline (CID 175829219) is 5,7-bis(trifluoromethyl)quinazoline.
What is the SMILES notation for 5,7-bis(trifluoromethyl)quinazoline?
The canonical SMILES for 5,7-bis(trifluoromethyl)quinazoline is FC(F)(F)c1cc(C(F)(F)F)c2cncnc2c1.
What is the InChIKey of 5,7-bis(trifluoromethyl)quinazoline?
The InChIKey is LDWYAYZKWRQCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F6N2/c11-9(12,13)5-1-7(10(14,15)16)6-3-17-4-18-8(6)2-5/h1-4H.
What are the key properties of 5,7-bis(trifluoromethyl)quinazoline?
5,7-bis(trifluoromethyl)quinazoline has a molecular weight of 266.14 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(trifluoromethyl)quinazoline is sourced from PubChem (CID 175829219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).