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

C12H23F2N — CID 176919390

IUPAC(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;propane
SMILESCCC.CC[C@]1(C)CC(=C(F)F)CN1C
InChIInChI=1S/C9H15F2N.C3H8/c1-4-9(2)5-7(8(10)11)6-12(9)3;1-3-2/h4-6H2,1-3H3;3H2,1-2H3/t9-;/m1./s1
InChIKeyCHADVOKSJMEKSA-SBSPUUFOSA-N
MW219.32 g/mol
LogP4.06
Rot. Bonds1

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

(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;propane (PubChem CID 176919390) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;propane.

Molecular Properties

Compound Name(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;propane
PubChem CID176919390
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;propane
SMILESCCC.CC[C@]1(C)CC(=C(F)F)CN1C
InChIInChI=1S/C9H15F2N.C3H8/c1-4-9(2)5-7(8(10)11)6-12(9)3;1-3-2/h4-6H2,1-3H3;3H2,1-2H3/t9-;/m1./s1
InChIKeyCHADVOKSJMEKSA-SBSPUUFOSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 54.06
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;propane?
The IUPAC name of (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;propane (CID 176919390) is (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;propane.
What is the SMILES notation for (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;propane?
The canonical SMILES for (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;propane is CCC.CC[C@]1(C)CC(=C(F)F)CN1C.
What is the InChIKey of (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;propane?
The InChIKey is CHADVOKSJMEKSA-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H15F2N.C3H8/c1-4-9(2)5-7(8(10)11)6-12(9)3;1-3-2/h4-6H2,1-3H3;3H2,1-2H3/t9-;/m1./s1.
What are the key properties of (2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;propane?
(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine;propane has a molecular weight of 219.32 g/mol, XLogP of 4.06, 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;propane is sourced from PubChem (CID 176919390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).