2-adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium

C21H25FNO+ — CID 8622055

IUPAC2-adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
SMILESFc1ccccc1-c1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)o1
InChIInChI=1S/C21H24FNO/c22-19-4-2-1-3-18(19)20-6-5-17(24-20)12-23-21-15-8-13-7-14(10-15)11-16(21)9-13/h1-6,13-16,21,23H,7-12H2/p+1
InChIKeyMYTYFKJVXAPLTN-UHFFFAOYSA-O
MW326.43 g/mol
LogP3.97
Rot. Bonds4

About 2-adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium

2-adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium (PubChem CID 8622055) has the molecular formula C21H25FNO+ and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium.

Molecular Properties

Compound Name2-adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
PubChem CID8622055
Molecular FormulaC21H25FNO+
Molecular Weight326.43 g/mol
Exact Mass326.19
IUPAC Name2-adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
SMILESFc1ccccc1-c1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)o1
InChIInChI=1S/C21H24FNO/c22-19-4-2-1-3-18(19)20-6-5-17(24-20)12-23-21-15-8-13-7-14(10-15)11-16(21)9-13/h1-6,13-16,21,23H,7-12H2/p+1
InChIKeyMYTYFKJVXAPLTN-UHFFFAOYSA-O
XLogP3.97
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium?
The IUPAC name of 2-adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium (CID 8622055) is 2-adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium.
What is the SMILES notation for 2-adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium?
The canonical SMILES for 2-adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium is Fc1ccccc1-c1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)o1.
What is the InChIKey of 2-adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium?
The InChIKey is MYTYFKJVXAPLTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24FNO/c22-19-4-2-1-3-18(19)20-6-5-17(24-20)12-23-21-15-8-13-7-14(10-15)11-16(21)9-13/h1-6,13-16,21,23H,7-12H2/p+1.
What are the key properties of 2-adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium?
2-adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium has a molecular weight of 326.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium is sourced from PubChem (CID 8622055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).