(2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine

C11H17F2N — CID 178101737

IUPAC(2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine
SMILESC=C(C)C[C@]1(C)CC(=C(F)F)CN1C
InChIInChI=1S/C11H17F2N/c1-8(2)5-11(3)6-9(10(12)13)7-14(11)4/h1,5-7H2,2-4H3/t11-/m1/s1
InChIKeyUCYUMIMGSFVYRC-LLVKDONJSA-N
MW201.26 g/mol
LogP3.20
Rot. Bonds2

About (2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine

(2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine (PubChem CID 178101737) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is (2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine
PubChem CID178101737
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name(2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine
SMILESC=C(C)C[C@]1(C)CC(=C(F)F)CN1C
InChIInChI=1S/C11H17F2N/c1-8(2)5-11(3)6-9(10(12)13)7-14(11)4/h1,5-7H2,2-4H3/t11-/m1/s1
InChIKeyUCYUMIMGSFVYRC-LLVKDONJSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine?
The IUPAC name of (2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine (CID 178101737) is (2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine.
What is the SMILES notation for (2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine?
The canonical SMILES for (2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine is C=C(C)C[C@]1(C)CC(=C(F)F)CN1C.
What is the InChIKey of (2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine?
The InChIKey is UCYUMIMGSFVYRC-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17F2N/c1-8(2)5-11(3)6-9(10(12)13)7-14(11)4/h1,5-7H2,2-4H3/t11-/m1/s1.
What are the key properties of (2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine?
(2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine has a molecular weight of 201.26 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(difluoromethylidene)-1,2-dimethyl-2-(2-methylprop-2-enyl)pyrrolidine is sourced from PubChem (CID 178101737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).