2-(chloromethyl)-1-(2,2-difluoroethyl)-3-methylpyrrolidine

C8H14ClF2N — CID 102784858

IUPAC2-(chloromethyl)-1-(2,2-difluoroethyl)-3-methylpyrrolidine
SMILESCC1CCN(CC(F)F)C1CCl
InChIInChI=1S/C8H14ClF2N/c1-6-2-3-12(5-8(10)11)7(6)4-9/h6-8H,2-5H2,1H3
InChIKeyYRVHNFVDSAIEQT-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.20
Rot. Bonds3

About 2-(chloromethyl)-1-(2,2-difluoroethyl)-3-methylpyrrolidine

2-(chloromethyl)-1-(2,2-difluoroethyl)-3-methylpyrrolidine (PubChem CID 102784858) has the molecular formula C8H14ClF2N and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,2-difluoroethyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,2-difluoroethyl)-3-methylpyrrolidine
PubChem CID102784858
Molecular FormulaC8H14ClF2N
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name2-(chloromethyl)-1-(2,2-difluoroethyl)-3-methylpyrrolidine
SMILESCC1CCN(CC(F)F)C1CCl
InChIInChI=1S/C8H14ClF2N/c1-6-2-3-12(5-8(10)11)7(6)4-9/h6-8H,2-5H2,1H3
InChIKeyYRVHNFVDSAIEQT-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.20
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 2-(chloromethyl)-1-(2,2-difluoroethyl)-3-methylpyrrolidine?
The IUPAC name of 2-(chloromethyl)-1-(2,2-difluoroethyl)-3-methylpyrrolidine (CID 102784858) is 2-(chloromethyl)-1-(2,2-difluoroethyl)-3-methylpyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-1-(2,2-difluoroethyl)-3-methylpyrrolidine?
The canonical SMILES for 2-(chloromethyl)-1-(2,2-difluoroethyl)-3-methylpyrrolidine is CC1CCN(CC(F)F)C1CCl.
What is the InChIKey of 2-(chloromethyl)-1-(2,2-difluoroethyl)-3-methylpyrrolidine?
The InChIKey is YRVHNFVDSAIEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF2N/c1-6-2-3-12(5-8(10)11)7(6)4-9/h6-8H,2-5H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(2,2-difluoroethyl)-3-methylpyrrolidine?
2-(chloromethyl)-1-(2,2-difluoroethyl)-3-methylpyrrolidine has a molecular weight of 197.66 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,2-difluoroethyl)-3-methylpyrrolidine is sourced from PubChem (CID 102784858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).