1-(2,3-dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine

C20H38F2N2 — CID 146244486

IUPAC1-(2,3-dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine
SMILESCC(C)C(C)(C)N1CC(CC(C)(C(C)C)N2CCCC2)C(F)(F)C1
InChIInChI=1S/C20H38F2N2/c1-15(2)18(5,6)24-13-17(20(21,22)14-24)12-19(7,16(3)4)23-10-8-9-11-23/h15-17H,8-14H2,1-7H3
InChIKeyWWOPHDLOHMFOSQ-UHFFFAOYSA-N
MW344.53 g/mol
LogP4.89
Rot. Bonds6

About 1-(2,3-dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine

1-(2,3-dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine (PubChem CID 146244486) has the molecular formula C20H38F2N2 and a molecular weight of 344.53 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine
PubChem CID146244486
Molecular FormulaC20H38F2N2
Molecular Weight344.53 g/mol
Exact Mass344.30
IUPAC Name1-(2,3-dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine
SMILESCC(C)C(C)(C)N1CC(CC(C)(C(C)C)N2CCCC2)C(F)(F)C1
InChIInChI=1S/C20H38F2N2/c1-15(2)18(5,6)24-13-17(20(21,22)14-24)12-19(7,16(3)4)23-10-8-9-11-23/h15-17H,8-14H2,1-7H3
InChIKeyWWOPHDLOHMFOSQ-UHFFFAOYSA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine?
The IUPAC name of 1-(2,3-dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine (CID 146244486) is 1-(2,3-dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine is CC(C)C(C)(C)N1CC(CC(C)(C(C)C)N2CCCC2)C(F)(F)C1.
What is the InChIKey of 1-(2,3-dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine?
The InChIKey is WWOPHDLOHMFOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38F2N2/c1-15(2)18(5,6)24-13-17(20(21,22)14-24)12-19(7,16(3)4)23-10-8-9-11-23/h15-17H,8-14H2,1-7H3.
What are the key properties of 1-(2,3-dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine?
1-(2,3-dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine has a molecular weight of 344.53 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine is sourced from PubChem (CID 146244486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).