3-fluoro-1-(5-methylnonan-5-yl)pyrrolidine

C14H28FN — CID 123170121

IUPAC3-fluoro-1-(5-methylnonan-5-yl)pyrrolidine
SMILESCCCCC(C)(CCCC)N1CCC(F)C1
InChIInChI=1S/C14H28FN/c1-4-6-9-14(3,10-7-5-2)16-11-8-13(15)12-16/h13H,4-12H2,1-3H3
InChIKeySPAGOOVBKMVVOC-UHFFFAOYSA-N
MW229.38 g/mol
LogP4.17
Rot. Bonds7

About 3-fluoro-1-(5-methylnonan-5-yl)pyrrolidine

3-fluoro-1-(5-methylnonan-5-yl)pyrrolidine (PubChem CID 123170121) has the molecular formula C14H28FN and a molecular weight of 229.38 g/mol. Its IUPAC name is 3-fluoro-1-(5-methylnonan-5-yl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-(5-methylnonan-5-yl)pyrrolidine
PubChem CID123170121
Molecular FormulaC14H28FN
Molecular Weight229.38 g/mol
Exact Mass229.22
IUPAC Name3-fluoro-1-(5-methylnonan-5-yl)pyrrolidine
SMILESCCCCC(C)(CCCC)N1CCC(F)C1
InChIInChI=1S/C14H28FN/c1-4-6-9-14(3,10-7-5-2)16-11-8-13(15)12-16/h13H,4-12H2,1-3H3
InChIKeySPAGOOVBKMVVOC-UHFFFAOYSA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(5-methylnonan-5-yl)pyrrolidine?
The IUPAC name of 3-fluoro-1-(5-methylnonan-5-yl)pyrrolidine (CID 123170121) is 3-fluoro-1-(5-methylnonan-5-yl)pyrrolidine.
What is the SMILES notation for 3-fluoro-1-(5-methylnonan-5-yl)pyrrolidine?
The canonical SMILES for 3-fluoro-1-(5-methylnonan-5-yl)pyrrolidine is CCCCC(C)(CCCC)N1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-(5-methylnonan-5-yl)pyrrolidine?
The InChIKey is SPAGOOVBKMVVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FN/c1-4-6-9-14(3,10-7-5-2)16-11-8-13(15)12-16/h13H,4-12H2,1-3H3.
What are the key properties of 3-fluoro-1-(5-methylnonan-5-yl)pyrrolidine?
3-fluoro-1-(5-methylnonan-5-yl)pyrrolidine has a molecular weight of 229.38 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(5-methylnonan-5-yl)pyrrolidine is sourced from PubChem (CID 123170121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).