8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine

C12H7F3N4O — CID 167823657

IUPAC8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine
SMILESFc1cc(OC(F)F)ccc1-c1nc2ncncc2[nH]1
InChIInChI=1S/C12H7F3N4O/c13-8-3-6(20-12(14)15)1-2-7(8)10-18-9-4-16-5-17-11(9)19-10/h1-5,12H,(H,16,17,18,19)
InChIKeyQOIFDBLBCDYPKJ-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.76
Rot. Bonds3

About 8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine

8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine (PubChem CID 167823657) has the molecular formula C12H7F3N4O and a molecular weight of 280.21 g/mol. Its IUPAC name is 8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine.

Molecular Properties

Compound Name8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine
PubChem CID167823657
Molecular FormulaC12H7F3N4O
Molecular Weight280.21 g/mol
Exact Mass280.06
IUPAC Name8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine
SMILESFc1cc(OC(F)F)ccc1-c1nc2ncncc2[nH]1
InChIInChI=1S/C12H7F3N4O/c13-8-3-6(20-12(14)15)1-2-7(8)10-18-9-4-16-5-17-11(9)19-10/h1-5,12H,(H,16,17,18,19)
InChIKeyQOIFDBLBCDYPKJ-UHFFFAOYSA-N
XLogP2.76
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine?
The IUPAC name of 8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine (CID 167823657) is 8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine.
What is the SMILES notation for 8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine?
The canonical SMILES for 8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine is Fc1cc(OC(F)F)ccc1-c1nc2ncncc2[nH]1.
What is the InChIKey of 8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine?
The InChIKey is QOIFDBLBCDYPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4O/c13-8-3-6(20-12(14)15)1-2-7(8)10-18-9-4-16-5-17-11(9)19-10/h1-5,12H,(H,16,17,18,19).
What are the key properties of 8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine?
8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine has a molecular weight of 280.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine is sourced from PubChem (CID 167823657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).