6-bromo-8-(1,1-difluoroethyl)quinazolin-2-amine

C10H8BrF2N3 — CID 137352097

IUPAC6-bromo-8-(1,1-difluoroethyl)quinazolin-2-amine
SMILESCC(F)(F)c1cc(Br)cc2cnc(N)nc12
InChIInChI=1S/C10H8BrF2N3/c1-10(12,13)7-3-6(11)2-5-4-15-9(14)16-8(5)7/h2-4H,1H3,(H2,14,15,16)
InChIKeyKFAZHWVGSKNGNX-UHFFFAOYSA-N
MW288.10 g/mol
LogP3.09
Rot. Bonds1

About 6-bromo-8-(1,1-difluoroethyl)quinazolin-2-amine

6-bromo-8-(1,1-difluoroethyl)quinazolin-2-amine (PubChem CID 137352097) has the molecular formula C10H8BrF2N3 and a molecular weight of 288.10 g/mol. Its IUPAC name is 6-bromo-8-(1,1-difluoroethyl)quinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-8-(1,1-difluoroethyl)quinazolin-2-amine
PubChem CID137352097
Molecular FormulaC10H8BrF2N3
Molecular Weight288.10 g/mol
Exact Mass286.99
IUPAC Name6-bromo-8-(1,1-difluoroethyl)quinazolin-2-amine
SMILESCC(F)(F)c1cc(Br)cc2cnc(N)nc12
InChIInChI=1S/C10H8BrF2N3/c1-10(12,13)7-3-6(11)2-5-4-15-9(14)16-8(5)7/h2-4H,1H3,(H2,14,15,16)
InChIKeyKFAZHWVGSKNGNX-UHFFFAOYSA-N
XLogP3.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(1,1-difluoroethyl)quinazolin-2-amine?
The IUPAC name of 6-bromo-8-(1,1-difluoroethyl)quinazolin-2-amine (CID 137352097) is 6-bromo-8-(1,1-difluoroethyl)quinazolin-2-amine.
What is the SMILES notation for 6-bromo-8-(1,1-difluoroethyl)quinazolin-2-amine?
The canonical SMILES for 6-bromo-8-(1,1-difluoroethyl)quinazolin-2-amine is CC(F)(F)c1cc(Br)cc2cnc(N)nc12.
What is the InChIKey of 6-bromo-8-(1,1-difluoroethyl)quinazolin-2-amine?
The InChIKey is KFAZHWVGSKNGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N3/c1-10(12,13)7-3-6(11)2-5-4-15-9(14)16-8(5)7/h2-4H,1H3,(H2,14,15,16).
What are the key properties of 6-bromo-8-(1,1-difluoroethyl)quinazolin-2-amine?
6-bromo-8-(1,1-difluoroethyl)quinazolin-2-amine has a molecular weight of 288.10 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(1,1-difluoroethyl)quinazolin-2-amine is sourced from PubChem (CID 137352097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).