3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride

C19H21Cl2NO — CID 87822203

IUPAC3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride
SMILESCN(CCC(=O)Cl)CCC1c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C19H20ClNO.ClH/c1-21(13-11-19(20)22)12-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18;/h2-9,18H,10-13H2,1H3;1H
InChIKeyVONIEZLFIBFWLC-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.70
Rot. Bonds6

About 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride

3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride (PubChem CID 87822203) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride.

Molecular Properties

Compound Name3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride
PubChem CID87822203
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride
SMILESCN(CCC(=O)Cl)CCC1c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C19H20ClNO.ClH/c1-21(13-11-19(20)22)12-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18;/h2-9,18H,10-13H2,1H3;1H
InChIKeyVONIEZLFIBFWLC-UHFFFAOYSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride?
The IUPAC name of 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride (CID 87822203) is 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride.
What is the SMILES notation for 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride?
The canonical SMILES for 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride is CN(CCC(=O)Cl)CCC1c2ccccc2-c2ccccc21.Cl.
What is the InChIKey of 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride?
The InChIKey is VONIEZLFIBFWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO.ClH/c1-21(13-11-19(20)22)12-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18;/h2-9,18H,10-13H2,1H3;1H.
What are the key properties of 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride?
3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride has a molecular weight of 350.29 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride is sourced from PubChem (CID 87822203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).