1-(4,4-dimethylpentyl)-3-fluoro-3-methylpyrrolidine

C12H24FN — CID 118328439

IUPAC1-(4,4-dimethylpentyl)-3-fluoro-3-methylpyrrolidine
SMILESCC(C)(C)CCCN1CCC(C)(F)C1
InChIInChI=1S/C12H24FN/c1-11(2,3)6-5-8-14-9-7-12(4,13)10-14/h5-10H2,1-4H3
InChIKeyAHLNTPDHYUUONG-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.25
Rot. Bonds3

About 1-(4,4-dimethylpentyl)-3-fluoro-3-methylpyrrolidine

1-(4,4-dimethylpentyl)-3-fluoro-3-methylpyrrolidine (PubChem CID 118328439) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-3-fluoro-3-methylpyrrolidine.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)-3-fluoro-3-methylpyrrolidine
PubChem CID118328439
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name1-(4,4-dimethylpentyl)-3-fluoro-3-methylpyrrolidine
SMILESCC(C)(C)CCCN1CCC(C)(F)C1
InChIInChI=1S/C12H24FN/c1-11(2,3)6-5-8-14-9-7-12(4,13)10-14/h5-10H2,1-4H3
InChIKeyAHLNTPDHYUUONG-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentyl)-3-fluoro-3-methylpyrrolidine?
The IUPAC name of 1-(4,4-dimethylpentyl)-3-fluoro-3-methylpyrrolidine (CID 118328439) is 1-(4,4-dimethylpentyl)-3-fluoro-3-methylpyrrolidine.
What is the SMILES notation for 1-(4,4-dimethylpentyl)-3-fluoro-3-methylpyrrolidine?
The canonical SMILES for 1-(4,4-dimethylpentyl)-3-fluoro-3-methylpyrrolidine is CC(C)(C)CCCN1CCC(C)(F)C1.
What is the InChIKey of 1-(4,4-dimethylpentyl)-3-fluoro-3-methylpyrrolidine?
The InChIKey is AHLNTPDHYUUONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-11(2,3)6-5-8-14-9-7-12(4,13)10-14/h5-10H2,1-4H3.
What are the key properties of 1-(4,4-dimethylpentyl)-3-fluoro-3-methylpyrrolidine?
1-(4,4-dimethylpentyl)-3-fluoro-3-methylpyrrolidine has a molecular weight of 201.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)-3-fluoro-3-methylpyrrolidine is sourced from PubChem (CID 118328439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).