[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium

C15H18ClFNO2+ — CID 7425273

IUPAC[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium
SMILESCC(C)(CO)[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C15H17ClFNO2/c1-15(2,9-19)18-8-11-4-6-14(20-11)10-3-5-13(17)12(16)7-10/h3-7,18-19H,8-9H2,1-2H3/p+1
InChIKeyZFKNVVIQECKZTH-UHFFFAOYSA-O
MW298.77 g/mol
LogP2.57
Rot. Bonds5

About [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium

[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium (PubChem CID 7425273) has the molecular formula C15H18ClFNO2+ and a molecular weight of 298.77 g/mol. Its IUPAC name is [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium.

Molecular Properties

Compound Name[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium
PubChem CID7425273
Molecular FormulaC15H18ClFNO2+
Molecular Weight298.77 g/mol
Exact Mass298.10
IUPAC Name[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium
SMILESCC(C)(CO)[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C15H17ClFNO2/c1-15(2,9-19)18-8-11-4-6-14(20-11)10-3-5-13(17)12(16)7-10/h3-7,18-19H,8-9H2,1-2H3/p+1
InChIKeyZFKNVVIQECKZTH-UHFFFAOYSA-O
XLogP2.57
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium?
The IUPAC name of [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium (CID 7425273) is [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium.
What is the SMILES notation for [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium?
The canonical SMILES for [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium is CC(C)(CO)[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium?
The InChIKey is ZFKNVVIQECKZTH-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17ClFNO2/c1-15(2,9-19)18-8-11-4-6-14(20-11)10-3-5-13(17)12(16)7-10/h3-7,18-19H,8-9H2,1-2H3/p+1.
What are the key properties of [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium?
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium has a molecular weight of 298.77 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium is sourced from PubChem (CID 7425273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).