2-ethyl-3,3-difluoro-2-methylpyrrolidine;hydrochloride

C7H14ClF2N — CID 115017013

IUPAC2-ethyl-3,3-difluoro-2-methylpyrrolidine;hydrochloride
SMILESCCC1(C)NCCC1(F)F.Cl
InChIInChI=1S/C7H13F2N.ClH/c1-3-6(2)7(8,9)4-5-10-6;/h10H,3-5H2,1-2H3;1H
InChIKeyMUWAGGAURISIAK-UHFFFAOYSA-N
MW185.64 g/mol
LogP2.21
Rot. Bonds1

About 2-ethyl-3,3-difluoro-2-methylpyrrolidine;hydrochloride

2-ethyl-3,3-difluoro-2-methylpyrrolidine;hydrochloride (PubChem CID 115017013) has the molecular formula C7H14ClF2N and a molecular weight of 185.64 g/mol. Its IUPAC name is 2-ethyl-3,3-difluoro-2-methylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-3,3-difluoro-2-methylpyrrolidine;hydrochloride
PubChem CID115017013
Molecular FormulaC7H14ClF2N
Molecular Weight185.64 g/mol
Exact Mass185.08
IUPAC Name2-ethyl-3,3-difluoro-2-methylpyrrolidine;hydrochloride
SMILESCCC1(C)NCCC1(F)F.Cl
InChIInChI=1S/C7H13F2N.ClH/c1-3-6(2)7(8,9)4-5-10-6;/h10H,3-5H2,1-2H3;1H
InChIKeyMUWAGGAURISIAK-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3-difluoro-2-methylpyrrolidine;hydrochloride?
The IUPAC name of 2-ethyl-3,3-difluoro-2-methylpyrrolidine;hydrochloride (CID 115017013) is 2-ethyl-3,3-difluoro-2-methylpyrrolidine;hydrochloride.
What is the SMILES notation for 2-ethyl-3,3-difluoro-2-methylpyrrolidine;hydrochloride?
The canonical SMILES for 2-ethyl-3,3-difluoro-2-methylpyrrolidine;hydrochloride is CCC1(C)NCCC1(F)F.Cl.
What is the InChIKey of 2-ethyl-3,3-difluoro-2-methylpyrrolidine;hydrochloride?
The InChIKey is MUWAGGAURISIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.ClH/c1-3-6(2)7(8,9)4-5-10-6;/h10H,3-5H2,1-2H3;1H.
What are the key properties of 2-ethyl-3,3-difluoro-2-methylpyrrolidine;hydrochloride?
2-ethyl-3,3-difluoro-2-methylpyrrolidine;hydrochloride has a molecular weight of 185.64 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3-difluoro-2-methylpyrrolidine;hydrochloride is sourced from PubChem (CID 115017013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).