3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine

C10H18F2N2 — CID 130646465

IUPAC3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine
SMILESCC1CNCC1CN1CCC(F)(F)C1
InChIInChI=1S/C10H18F2N2/c1-8-4-13-5-9(8)6-14-3-2-10(11,12)7-14/h8-9,13H,2-7H2,1H3
InChIKeyVBIDXUQVRNIANH-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.18
Rot. Bonds2

About 3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine

3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine (PubChem CID 130646465) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine
PubChem CID130646465
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine
SMILESCC1CNCC1CN1CCC(F)(F)C1
InChIInChI=1S/C10H18F2N2/c1-8-4-13-5-9(8)6-14-3-2-10(11,12)7-14/h8-9,13H,2-7H2,1H3
InChIKeyVBIDXUQVRNIANH-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine?
The IUPAC name of 3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine (CID 130646465) is 3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine is CC1CNCC1CN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine?
The InChIKey is VBIDXUQVRNIANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-8-4-13-5-9(8)6-14-3-2-10(11,12)7-14/h8-9,13H,2-7H2,1H3.
What are the key properties of 3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine?
3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine has a molecular weight of 204.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine is sourced from PubChem (CID 130646465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).