4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine

C10H8ClF2N3O — CID 138109302

IUPAC4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2oc3c(c2n1)CC(F)(F)CC3
InChIInChI=1S/C10H8ClF2N3O/c11-8-7-6(15-9(14)16-8)4-3-10(12,13)2-1-5(4)17-7/h1-3H2,(H2,14,15,16)
InChIKeyBUCGYYQYHMMCAF-UHFFFAOYSA-N
MW259.64 g/mol
LogP2.58
Rot. Bonds

About 4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine

4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 138109302) has the molecular formula C10H8ClF2N3O and a molecular weight of 259.64 g/mol. Its IUPAC name is 4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID138109302
Molecular FormulaC10H8ClF2N3O
Molecular Weight259.64 g/mol
Exact Mass259.03
IUPAC Name4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2oc3c(c2n1)CC(F)(F)CC3
InChIInChI=1S/C10H8ClF2N3O/c11-8-7-6(15-9(14)16-8)4-3-10(12,13)2-1-5(4)17-7/h1-3H2,(H2,14,15,16)
InChIKeyBUCGYYQYHMMCAF-UHFFFAOYSA-N
XLogP2.58
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.64
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 138109302) is 4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine is Nc1nc(Cl)c2oc3c(c2n1)CC(F)(F)CC3.
What is the InChIKey of 4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is BUCGYYQYHMMCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2N3O/c11-8-7-6(15-9(14)16-8)4-3-10(12,13)2-1-5(4)17-7/h1-3H2,(H2,14,15,16).
What are the key properties of 4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine?
4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 259.64 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8,8-difluoro-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 138109302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).