2-(difluoromethyl)-3-ethyl-1-methylpyrrolidine

C8H15F2N — CID 146488485

IUPAC2-(difluoromethyl)-3-ethyl-1-methylpyrrolidine
SMILESCCC1CCN(C)C1C(F)F
InChIInChI=1S/C8H15F2N/c1-3-6-4-5-11(2)7(6)8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyGFWXXBITPLEWAH-UHFFFAOYSA-N
MW163.21 g/mol
LogP1.98
Rot. Bonds2

About 2-(difluoromethyl)-3-ethyl-1-methylpyrrolidine

2-(difluoromethyl)-3-ethyl-1-methylpyrrolidine (PubChem CID 146488485) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-ethyl-1-methylpyrrolidine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-ethyl-1-methylpyrrolidine
PubChem CID146488485
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name2-(difluoromethyl)-3-ethyl-1-methylpyrrolidine
SMILESCCC1CCN(C)C1C(F)F
InChIInChI=1S/C8H15F2N/c1-3-6-4-5-11(2)7(6)8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyGFWXXBITPLEWAH-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclohexyl-2,2,3,3,4,5,5-heptafluoro-4-methylpyrrolidine
CID 20475973
1,2,2-Trimethyl-4-(trifluoromethyl)pyrrolidine
CID 21025949
2-Methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 23395523
4,4-Difluoro-1,2-dimethylpyrrolidine
CID 23521112
3-Ethyl-1-(2-fluoroethyl)pyrrolidine
CID 57639817
1-Methyl-2-(trifluoromethyl)pyrrolidine
CID 57837852
1-Propan-2-yl-2-(trifluoromethyl)pyrrolidine
CID 58110267
4-(Difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58195216
(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279608
(2R)-1-ethyl-4,4-difluoro-2-(2-methylpropyl)pyrrolidine
CID 58279609
(2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 58279613
4,4-Difluoro-2-methyl-1-propan-2-ylpyrrolidine
CID 58578342

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-ethyl-1-methylpyrrolidine?
The IUPAC name of 2-(difluoromethyl)-3-ethyl-1-methylpyrrolidine (CID 146488485) is 2-(difluoromethyl)-3-ethyl-1-methylpyrrolidine.
What is the SMILES notation for 2-(difluoromethyl)-3-ethyl-1-methylpyrrolidine?
The canonical SMILES for 2-(difluoromethyl)-3-ethyl-1-methylpyrrolidine is CCC1CCN(C)C1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-ethyl-1-methylpyrrolidine?
The InChIKey is GFWXXBITPLEWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-3-6-4-5-11(2)7(6)8(9)10/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-3-ethyl-1-methylpyrrolidine?
2-(difluoromethyl)-3-ethyl-1-methylpyrrolidine has a molecular weight of 163.21 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-ethyl-1-methylpyrrolidine is sourced from PubChem (CID 146488485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).