1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride

C6H11Cl2F2N — CID 67197404

IUPAC1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride
SMILESCl.FC1(F)CCN(CCCl)C1
InChIInChI=1S/C6H10ClF2N.ClH/c7-2-4-10-3-1-6(8,9)5-10;/h1-5H2;1H
InChIKeyXONAXKCHKHBEBI-UHFFFAOYSA-N
MW206.06 g/mol
LogP1.99
Rot. Bonds2

About 1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride

1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride (PubChem CID 67197404) has the molecular formula C6H11Cl2F2N and a molecular weight of 206.06 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride
PubChem CID67197404
Molecular FormulaC6H11Cl2F2N
Molecular Weight206.06 g/mol
Exact Mass205.02
IUPAC Name1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride
SMILESCl.FC1(F)CCN(CCCl)C1
InChIInChI=1S/C6H10ClF2N.ClH/c7-2-4-10-3-1-6(8,9)5-10;/h1-5H2;1H
InChIKeyXONAXKCHKHBEBI-UHFFFAOYSA-N
XLogP1.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.06
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride?
The IUPAC name of 1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride (CID 67197404) is 1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride.
What is the SMILES notation for 1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride?
The canonical SMILES for 1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride is Cl.FC1(F)CCN(CCCl)C1.
What is the InChIKey of 1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride?
The InChIKey is XONAXKCHKHBEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF2N.ClH/c7-2-4-10-3-1-6(8,9)5-10;/h1-5H2;1H.
What are the key properties of 1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride?
1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride has a molecular weight of 206.06 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride is sourced from PubChem (CID 67197404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).