8-bromo-6-(trifluoromethyl)quinazoline

C9H4BrF3N2 — CID 171373809

IUPAC8-bromo-6-(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1cc(Br)c2ncncc2c1
InChIInChI=1S/C9H4BrF3N2/c10-7-2-6(9(11,12)13)1-5-3-14-4-15-8(5)7/h1-4H
InChIKeyMFWZQQACHMGVFR-UHFFFAOYSA-N
MW277.04 g/mol
LogP3.41
Rot. Bonds

About 8-bromo-6-(trifluoromethyl)quinazoline

8-bromo-6-(trifluoromethyl)quinazoline (PubChem CID 171373809) has the molecular formula C9H4BrF3N2 and a molecular weight of 277.04 g/mol. Its IUPAC name is 8-bromo-6-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name8-bromo-6-(trifluoromethyl)quinazoline
PubChem CID171373809
Molecular FormulaC9H4BrF3N2
Molecular Weight277.04 g/mol
Exact Mass275.95
IUPAC Name8-bromo-6-(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1cc(Br)c2ncncc2c1
InChIInChI=1S/C9H4BrF3N2/c10-7-2-6(9(11,12)13)1-5-3-14-4-15-8(5)7/h1-4H
InChIKeyMFWZQQACHMGVFR-UHFFFAOYSA-N
XLogP3.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.04
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-difluoroquinazoline
CID 171373759
8-bromo-6-(trifluoromethyl)isoquinoline
CID 154727211
4-bromo-7-(trifluoromethyl)isoquinoline
CID 131699987
6-chloro-8-fluoroquinazoline
CID 156761825
5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline
CID 2799149
5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 66319385
5-(trifluoromethyl)pyrimidine
CID 15273573
4-bromo-6-(trifluoromethyl)isoquinoline
CID 84750895
5,7-bis(trifluoromethyl)quinazoline
CID 175829219
3-bromo-5-(trifluoromethyl)benzene-1,2-diol
CID 59643037
4-bromo-5-(trifluoromethyl)pyrimidine
CID 118816144
4-bromo-2-(trichloromethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 10177929

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-(trifluoromethyl)quinazoline?
The IUPAC name of 8-bromo-6-(trifluoromethyl)quinazoline (CID 171373809) is 8-bromo-6-(trifluoromethyl)quinazoline.
What is the SMILES notation for 8-bromo-6-(trifluoromethyl)quinazoline?
The canonical SMILES for 8-bromo-6-(trifluoromethyl)quinazoline is FC(F)(F)c1cc(Br)c2ncncc2c1.
What is the InChIKey of 8-bromo-6-(trifluoromethyl)quinazoline?
The InChIKey is MFWZQQACHMGVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3N2/c10-7-2-6(9(11,12)13)1-5-3-14-4-15-8(5)7/h1-4H.
What are the key properties of 8-bromo-6-(trifluoromethyl)quinazoline?
8-bromo-6-(trifluoromethyl)quinazoline has a molecular weight of 277.04 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-(trifluoromethyl)quinazoline is sourced from PubChem (CID 171373809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).