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

C18H16ClFNO+ — CID 8622071

IUPAC(2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
SMILESFc1ccccc1-c1ccc(C[NH2+]Cc2ccccc2Cl)o1
InChIInChI=1S/C18H15ClFNO/c19-16-7-3-1-5-13(16)11-21-12-14-9-10-18(22-14)15-6-2-4-8-17(15)20/h1-10,21H,11-12H2/p+1
InChIKeyFXYHHGLBLDODQQ-UHFFFAOYSA-O
MW316.78 g/mol
LogP4.00
Rot. Bonds5

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

(2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium (PubChem CID 8622071) has the molecular formula C18H16ClFNO+ and a molecular weight of 316.78 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
PubChem CID8622071
Molecular FormulaC18H16ClFNO+
Molecular Weight316.78 g/mol
Exact Mass316.09
IUPAC Name(2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
SMILESFc1ccccc1-c1ccc(C[NH2+]Cc2ccccc2Cl)o1
InChIInChI=1S/C18H15ClFNO/c19-16-7-3-1-5-13(16)11-21-12-14-9-10-18(22-14)15-6-2-4-8-17(15)20/h1-10,21H,11-12H2/p+1
InChIKeyFXYHHGLBLDODQQ-UHFFFAOYSA-O
XLogP4.00
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8636558
ethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
CID 7425125
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8636811
(2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
CID 8638991
(2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8636553
2-[5-(2-fluorophenyl)furan-2-yl]ethanamine
CID 54775832
[5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7248404
[5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium
CID 7450449
[5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 7447687
1-[5-(2-fluorophenyl)furan-2-yl]propan-2-ol
CID 63085835
[5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate
CID 45277488
2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622208

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium?
The IUPAC name of (2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium (CID 8622071) is (2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium?
The canonical SMILES for (2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium is Fc1ccccc1-c1ccc(C[NH2+]Cc2ccccc2Cl)o1.
What is the InChIKey of (2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium?
The InChIKey is FXYHHGLBLDODQQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15ClFNO/c19-16-7-3-1-5-13(16)11-21-12-14-9-10-18(22-14)15-6-2-4-8-17(15)20/h1-10,21H,11-12H2/p+1.
What are the key properties of (2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium?
(2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium has a molecular weight of 316.78 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium is sourced from PubChem (CID 8622071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).