3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine

C10H18F2N2 — CID 116991563

IUPAC3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine
SMILESFC1(F)CCN(CCC2CCNC2)C1
InChIInChI=1S/C10H18F2N2/c11-10(12)3-6-14(8-10)5-2-9-1-4-13-7-9/h9,13H,1-8H2
InChIKeyAXTAWOPOOFZXIS-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.33
Rot. Bonds3

About 3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine

3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine (PubChem CID 116991563) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine
PubChem CID116991563
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine
SMILESFC1(F)CCN(CCC2CCNC2)C1
InChIInChI=1S/C10H18F2N2/c11-10(12)3-6-14(8-10)5-2-9-1-4-13-7-9/h9,13H,1-8H2
InChIKeyAXTAWOPOOFZXIS-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
CID 130630857
2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride
CID 167985563
ethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine
CID 166490060
4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine
CID 166490061
1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone
CID 116991691
3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine
CID 116991614
3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine
CID 130656116
4,4-dimethyl-1-(2-piperidin-4-ylethyl)piperidine
CID 62937944
1-[4-(3,3-difluoropyrrolidin-1-yl)butyl]piperazine
CID 116991618
3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine
CID 115030744
4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 115022041
3-(2-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane
CID 62937065

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine (CID 116991563) is 3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine is FC1(F)CCN(CCC2CCNC2)C1.
What is the InChIKey of 3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine?
The InChIKey is AXTAWOPOOFZXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c11-10(12)3-6-14(8-10)5-2-9-1-4-13-7-9/h9,13H,1-8H2.
What are the key properties of 3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine?
3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine has a molecular weight of 204.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine is sourced from PubChem (CID 116991563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).