3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine

C10H20FN — CID 58107305

IUPAC3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine
SMILESCC(C)CCN1CCC(C)(F)C1
InChIInChI=1S/C10H20FN/c1-9(2)4-6-12-7-5-10(3,11)8-12/h9H,4-8H2,1-3H3
InChIKeyPBOFZLPDHGGNFQ-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.47
Rot. Bonds3

About 3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine

3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine (PubChem CID 58107305) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine
PubChem CID58107305
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Name3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine
SMILESCC(C)CCN1CCC(C)(F)C1
InChIInChI=1S/C10H20FN/c1-9(2)4-6-12-7-5-10(3,11)8-12/h9H,4-8H2,1-3H3
InChIKeyPBOFZLPDHGGNFQ-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine?
The IUPAC name of 3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine (CID 58107305) is 3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine is CC(C)CCN1CCC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine?
The InChIKey is PBOFZLPDHGGNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-9(2)4-6-12-7-5-10(3,11)8-12/h9H,4-8H2,1-3H3.
What are the key properties of 3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine?
3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine has a molecular weight of 173.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine is sourced from PubChem (CID 58107305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).