1-(7-fluoro-3,3-dimethylheptyl)pyrrolidine

C13H26FN — CID 167245182

IUPAC1-(7-fluoro-3,3-dimethylheptyl)pyrrolidine
SMILESCC(C)(CCCCF)CCN1CCCC1
InChIInChI=1S/C13H26FN/c1-13(2,7-3-4-9-14)8-12-15-10-5-6-11-15/h3-12H2,1-2H3
InChIKeyOETAIEJNLPMPHL-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.64
Rot. Bonds7

About 1-(7-fluoro-3,3-dimethylheptyl)pyrrolidine

1-(7-fluoro-3,3-dimethylheptyl)pyrrolidine (PubChem CID 167245182) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is 1-(7-fluoro-3,3-dimethylheptyl)pyrrolidine.

Molecular Properties

Compound Name1-(7-fluoro-3,3-dimethylheptyl)pyrrolidine
PubChem CID167245182
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name1-(7-fluoro-3,3-dimethylheptyl)pyrrolidine
SMILESCC(C)(CCCCF)CCN1CCCC1
InChIInChI=1S/C13H26FN/c1-13(2,7-3-4-9-14)8-12-15-10-5-6-11-15/h3-12H2,1-2H3
InChIKeyOETAIEJNLPMPHL-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-Fluoropropyl)-1-methylpyrrolidine
CID 18723118
2-Tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 22972511
1-(4,4-Dimethylpentyl)-3,3-difluoropyrrolidine
CID 57979610
1,2-Ditert-butyl-4-fluoropyrrolidine
CID 58185605
(3R,4R)-3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine
CID 58473066
3-Tert-butyl-4-fluoro-1-methylpyrrolidine
CID 58530504
3-Tert-butyl-1-ethyl-4-fluoropyrrolidine
CID 58530553
2-(2,2-Dimethylpropyl)-4-fluoro-1-methylpyrrolidine
CID 58530718
3-Tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine
CID 58530916
3-(Fluoromethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58778728
3-Fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine
CID 58944883
3-Ethyl-3-(fluoromethyl)-1-methylpyrrolidine
CID 58945070

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-3,3-dimethylheptyl)pyrrolidine?
The IUPAC name of 1-(7-fluoro-3,3-dimethylheptyl)pyrrolidine (CID 167245182) is 1-(7-fluoro-3,3-dimethylheptyl)pyrrolidine.
What is the SMILES notation for 1-(7-fluoro-3,3-dimethylheptyl)pyrrolidine?
The canonical SMILES for 1-(7-fluoro-3,3-dimethylheptyl)pyrrolidine is CC(C)(CCCCF)CCN1CCCC1.
What is the InChIKey of 1-(7-fluoro-3,3-dimethylheptyl)pyrrolidine?
The InChIKey is OETAIEJNLPMPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN/c1-13(2,7-3-4-9-14)8-12-15-10-5-6-11-15/h3-12H2,1-2H3.
What are the key properties of 1-(7-fluoro-3,3-dimethylheptyl)pyrrolidine?
1-(7-fluoro-3,3-dimethylheptyl)pyrrolidine has a molecular weight of 215.36 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-3,3-dimethylheptyl)pyrrolidine is sourced from PubChem (CID 167245182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).