3,3-difluoro-1-propylpyrrolidine;ethane;1-(3-methylbutyl)pyrrolidine

C18H38F2N2 — CID 169242290

IUPAC3,3-difluoro-1-propylpyrrolidine;ethane;1-(3-methylbutyl)pyrrolidine
SMILESCC.CC(C)CCN1CCCC1.CCCN1CCC(F)(F)C1
InChIInChI=1S/C9H19N.C7H13F2N.C2H6/c1-9(2)5-8-10-6-3-4-7-10;1-2-4-10-5-3-7(8,9)6-10;1-2/h9H,3-8H2,1-2H3;2-6H2,1H3;1-2H3
InChIKeyFVPLCZWMFBEBKN-UHFFFAOYSA-N
MW320.51 g/mol
LogP4.89
Rot. Bonds5

About 3,3-difluoro-1-propylpyrrolidine;ethane;1-(3-methylbutyl)pyrrolidine

3,3-difluoro-1-propylpyrrolidine;ethane;1-(3-methylbutyl)pyrrolidine (PubChem CID 169242290) has the molecular formula C18H38F2N2 and a molecular weight of 320.51 g/mol. Its IUPAC name is 3,3-difluoro-1-propylpyrrolidine;ethane;1-(3-methylbutyl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-propylpyrrolidine;ethane;1-(3-methylbutyl)pyrrolidine
PubChem CID169242290
Molecular FormulaC18H38F2N2
Molecular Weight320.51 g/mol
Exact Mass320.30
IUPAC Name3,3-difluoro-1-propylpyrrolidine;ethane;1-(3-methylbutyl)pyrrolidine
SMILESCC.CC(C)CCN1CCCC1.CCCN1CCC(F)(F)C1
InChIInChI=1S/C9H19N.C7H13F2N.C2H6/c1-9(2)5-8-10-6-3-4-7-10;1-2-4-10-5-3-7(8,9)6-10;1-2/h9H,3-8H2,1-2H3;2-6H2,1H3;1-2H3
InChIKeyFVPLCZWMFBEBKN-UHFFFAOYSA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propylpyrrolidine;ethane;1-(3-methylbutyl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-propylpyrrolidine;ethane;1-(3-methylbutyl)pyrrolidine (CID 169242290) is 3,3-difluoro-1-propylpyrrolidine;ethane;1-(3-methylbutyl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-propylpyrrolidine;ethane;1-(3-methylbutyl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-propylpyrrolidine;ethane;1-(3-methylbutyl)pyrrolidine is CC.CC(C)CCN1CCCC1.CCCN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-propylpyrrolidine;ethane;1-(3-methylbutyl)pyrrolidine?
The InChIKey is FVPLCZWMFBEBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C7H13F2N.C2H6/c1-9(2)5-8-10-6-3-4-7-10;1-2-4-10-5-3-7(8,9)6-10;1-2/h9H,3-8H2,1-2H3;2-6H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-1-propylpyrrolidine;ethane;1-(3-methylbutyl)pyrrolidine?
3,3-difluoro-1-propylpyrrolidine;ethane;1-(3-methylbutyl)pyrrolidine has a molecular weight of 320.51 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propylpyrrolidine;ethane;1-(3-methylbutyl)pyrrolidine is sourced from PubChem (CID 169242290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).