2-chloroethyl-ethyl-(9H-fluoren-9-yl)azanium chloride

C17H19Cl2N — CID 26338

IUPAC2-chloroethyl-ethyl-(9H-fluoren-9-yl)azanium chloride
SMILESCC[NH+](CCCl)C1c2ccccc2-c2ccccc21.[Cl-]
InChIInChI=1S/C17H18ClN.ClH/c1-2-19(12-11-18)17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;/h3-10,17H,2,11-12H2,1H3;1H
InChIKeyRMTWFBLCJLNBFA-UHFFFAOYSA-N
MW308.25 g/mol
LogP-0.10
Rot. Bonds4

About 2-chloroethyl-ethyl-(9H-fluoren-9-yl)azanium chloride

2-chloroethyl-ethyl-(9H-fluoren-9-yl)azanium chloride (PubChem CID 26338) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 2-chloroethyl-ethyl-(9H-fluoren-9-yl)azanium chloride.

Molecular Properties

Compound Name2-chloroethyl-ethyl-(9H-fluoren-9-yl)azanium chloride
PubChem CID26338
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name2-chloroethyl-ethyl-(9H-fluoren-9-yl)azanium chloride
SMILESCC[NH+](CCCl)C1c2ccccc2-c2ccccc21.[Cl-]
InChIInChI=1S/C17H18ClN.ClH/c1-2-19(12-11-18)17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;/h3-10,17H,2,11-12H2,1H3;1H
InChIKeyRMTWFBLCJLNBFA-UHFFFAOYSA-N
XLogP-0.10
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl-ethyl-(9H-fluoren-9-yl)azanium chloride?
The IUPAC name of 2-chloroethyl-ethyl-(9H-fluoren-9-yl)azanium chloride (CID 26338) is 2-chloroethyl-ethyl-(9H-fluoren-9-yl)azanium chloride.
What is the SMILES notation for 2-chloroethyl-ethyl-(9H-fluoren-9-yl)azanium chloride?
The canonical SMILES for 2-chloroethyl-ethyl-(9H-fluoren-9-yl)azanium chloride is CC[NH+](CCCl)C1c2ccccc2-c2ccccc21.[Cl-].
What is the InChIKey of 2-chloroethyl-ethyl-(9H-fluoren-9-yl)azanium chloride?
The InChIKey is RMTWFBLCJLNBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN.ClH/c1-2-19(12-11-18)17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;/h3-10,17H,2,11-12H2,1H3;1H.
What are the key properties of 2-chloroethyl-ethyl-(9H-fluoren-9-yl)azanium chloride?
2-chloroethyl-ethyl-(9H-fluoren-9-yl)azanium chloride has a molecular weight of 308.25 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-ethyl-(9H-fluoren-9-yl)azanium chloride is sourced from PubChem (CID 26338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).