3-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine

C10H19FN2 — CID 153145182

IUPAC3-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine
SMILESCN1CCC(CN2CCC(F)C2)C1
InChIInChI=1S/C10H19FN2/c1-12-4-2-9(6-12)7-13-5-3-10(11)8-13/h9-10H,2-8H2,1H3
InChIKeyVZKBQOBARHAKKS-UHFFFAOYSA-N
MW186.27 g/mol
LogP0.98
Rot. Bonds2

About 3-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine

3-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine (PubChem CID 153145182) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 3-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine
PubChem CID153145182
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name3-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine
SMILESCN1CCC(CN2CCC(F)C2)C1
InChIInChI=1S/C10H19FN2/c1-12-4-2-9(6-12)7-13-5-3-10(11)8-13/h9-10H,2-8H2,1H3
InChIKeyVZKBQOBARHAKKS-UHFFFAOYSA-N
XLogP0.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 67990286
CID 67990286
CID 68267637
CID 68267637
CID 68267641
CID 68267641
CID 77147816
CID 77147816
CID 118000456
CID 118000456
CID 118000457
CID 118000457
CID 118188188
CID 118188188
CID 118974515
CID 118974515

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine?
The IUPAC name of 3-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine (CID 153145182) is 3-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine.
What is the SMILES notation for 3-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine?
The canonical SMILES for 3-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine is CN1CCC(CN2CCC(F)C2)C1.
What is the InChIKey of 3-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine?
The InChIKey is VZKBQOBARHAKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-12-4-2-9(6-12)7-13-5-3-10(11)8-13/h9-10H,2-8H2,1H3.
What are the key properties of 3-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine?
3-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine has a molecular weight of 186.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine is sourced from PubChem (CID 153145182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).