(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane

C13H27F2N — CID 176919475

IUPAC(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane
SMILESCC.CC.CC[C@]1(C)CC(=C(F)F)CN1C
InChIInChI=1S/C9H15F2N.2C2H6/c1-4-9(2)5-7(8(10)11)6-12(9)3;2*1-2/h4-6H2,1-3H3;2*1-2H3/t9-;;/m1../s1
InChIKeyVIXMRKVSSKMZOW-KLQYNRQASA-N
MW235.36 g/mol
LogP4.69
Rot. Bonds1

About (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane

(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane (PubChem CID 176919475) has the molecular formula C13H27F2N and a molecular weight of 235.36 g/mol. Its IUPAC name is (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane.

Molecular Properties

Compound Name(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane
PubChem CID176919475
Molecular FormulaC13H27F2N
Molecular Weight235.36 g/mol
Exact Mass235.21
IUPAC Name(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane
SMILESCC.CC.CC[C@]1(C)CC(=C(F)F)CN1C
InChIInChI=1S/C9H15F2N.2C2H6/c1-4-9(2)5-7(8(10)11)6-12(9)3;2*1-2/h4-6H2,1-3H3;2*1-2H3/t9-;;/m1../s1
InChIKeyVIXMRKVSSKMZOW-KLQYNRQASA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane?
The IUPAC name of (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane (CID 176919475) is (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane.
What is the SMILES notation for (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane?
The canonical SMILES for (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane is CC.CC.CC[C@]1(C)CC(=C(F)F)CN1C.
What is the InChIKey of (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane?
The InChIKey is VIXMRKVSSKMZOW-KLQYNRQASA-N. The full InChI is InChI=1S/C9H15F2N.2C2H6/c1-4-9(2)5-7(8(10)11)6-12(9)3;2*1-2/h4-6H2,1-3H3;2*1-2H3/t9-;;/m1../s1.
What are the key properties of (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane?
(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane has a molecular weight of 235.36 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;ethane is sourced from PubChem (CID 176919475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).