3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine

C8H14F2N2 — CID 115014675

IUPAC3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine
SMILESFC1(F)CNCC1N1CCCC1
InChIInChI=1S/C8H14F2N2/c9-8(10)6-11-5-7(8)12-3-1-2-4-12/h7,11H,1-6H2
InChIKeyLZCNHYVGAIARAG-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.69
Rot. Bonds1

About 3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine

3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine (PubChem CID 115014675) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine
PubChem CID115014675
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine
SMILESFC1(F)CNCC1N1CCCC1
InChIInChI=1S/C8H14F2N2/c9-8(10)6-11-5-7(8)12-3-1-2-4-12/h7,11H,1-6H2
InChIKeyLZCNHYVGAIARAG-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-4-pyrrolidin-1-ylpiperidine;dihydrochloride
CID 129320018
4-(azetidin-1-yl)-3,3-difluoropiperidine
CID 130999129
4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine]
CID 130942537
3,3,4,5-tetrafluoropiperidine
CID 91309126
(3R)-4,4-difluoropyrrolidin-3-amine;hydrochloride
CID 170923039
4-(4,4-dimethylpyrrolidin-3-yl)morpholine
CID 91666792
3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 143675312
ethane;4-ethyl-3,3-difluoropyrrolidine
CID 177028431
2,2-dimethyl-3-pyrrolidin-1-ylpyrrolidine
CID 71669027
3,3-difluoro-4-prop-1-en-2-ylpyrrolidine
CID 162620781
6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane
CID 175613591
(3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine
CID 154809509

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of 3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine (CID 115014675) is 3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for 3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for 3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine is FC1(F)CNCC1N1CCCC1.
What is the InChIKey of 3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine?
The InChIKey is LZCNHYVGAIARAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c9-8(10)6-11-5-7(8)12-3-1-2-4-12/h7,11H,1-6H2.
What are the key properties of 3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine?
3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine has a molecular weight of 176.21 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 115014675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).