cyclopentyl-[(2-fluorophenyl)methyl]azanium

C12H17FN+ — CID 6964173

IUPACcyclopentyl-[(2-fluorophenyl)methyl]azanium
SMILESFc1ccccc1C[NH2+]C1CCCC1
InChIInChI=1S/C12H16FN/c13-12-8-4-1-5-10(12)9-14-11-6-2-3-7-11/h1,4-5,8,11,14H,2-3,6-7,9H2/p+1
InChIKeyRABPPLBEHXEIKW-UHFFFAOYSA-O
MW194.27 g/mol
LogP1.83
Rot. Bonds3

About cyclopentyl-[(2-fluorophenyl)methyl]azanium

cyclopentyl-[(2-fluorophenyl)methyl]azanium (PubChem CID 6964173) has the molecular formula C12H17FN+ and a molecular weight of 194.27 g/mol. Its IUPAC name is cyclopentyl-[(2-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopentyl-[(2-fluorophenyl)methyl]azanium
PubChem CID6964173
Molecular FormulaC12H17FN+
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namecyclopentyl-[(2-fluorophenyl)methyl]azanium
SMILESFc1ccccc1C[NH2+]C1CCCC1
InChIInChI=1S/C12H16FN/c13-12-8-4-1-5-10(12)9-14-11-6-2-3-7-11/h1,4-5,8,11,14H,2-3,6-7,9H2/p+1
InChIKeyRABPPLBEHXEIKW-UHFFFAOYSA-O
XLogP1.83
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(2-fluorophenyl)methyl]azanium?
The IUPAC name of cyclopentyl-[(2-fluorophenyl)methyl]azanium (CID 6964173) is cyclopentyl-[(2-fluorophenyl)methyl]azanium.
What is the SMILES notation for cyclopentyl-[(2-fluorophenyl)methyl]azanium?
The canonical SMILES for cyclopentyl-[(2-fluorophenyl)methyl]azanium is Fc1ccccc1C[NH2+]C1CCCC1.
What is the InChIKey of cyclopentyl-[(2-fluorophenyl)methyl]azanium?
The InChIKey is RABPPLBEHXEIKW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H16FN/c13-12-8-4-1-5-10(12)9-14-11-6-2-3-7-11/h1,4-5,8,11,14H,2-3,6-7,9H2/p+1.
What are the key properties of cyclopentyl-[(2-fluorophenyl)methyl]azanium?
cyclopentyl-[(2-fluorophenyl)methyl]azanium has a molecular weight of 194.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(2-fluorophenyl)methyl]azanium is sourced from PubChem (CID 6964173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).