3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane

C11H21F2N — CID 177054081

IUPAC3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane
SMILESCC.CCCC1C(=C(F)F)CCN1C
InChIInChI=1S/C9H15F2N.C2H6/c1-3-4-8-7(9(10)11)5-6-12(8)2;1-2/h8H,3-6H2,1-2H3;1-2H3
InChIKeyXQHRKBBGPRTSCB-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.67
Rot. Bonds2

About 3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane

3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane (PubChem CID 177054081) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane.

Molecular Properties

Compound Name3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane
PubChem CID177054081
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane
SMILESCC.CCCC1C(=C(F)F)CCN1C
InChIInChI=1S/C9H15F2N.C2H6/c1-3-4-8-7(9(10)11)5-6-12(8)2;1-2/h8H,3-6H2,1-2H3;1-2H3
InChIKeyXQHRKBBGPRTSCB-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane?
The IUPAC name of 3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane (CID 177054081) is 3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane.
What is the SMILES notation for 3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane?
The canonical SMILES for 3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane is CC.CCCC1C(=C(F)F)CCN1C.
What is the InChIKey of 3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane?
The InChIKey is XQHRKBBGPRTSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N.C2H6/c1-3-4-8-7(9(10)11)5-6-12(8)2;1-2/h8H,3-6H2,1-2H3;1-2H3.
What are the key properties of 3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane?
3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane has a molecular weight of 205.29 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-1-methyl-2-propylpyrrolidine;ethane is sourced from PubChem (CID 177054081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).