3-fluoro-1-(2-methylpropyl)pyrrolidine

C8H16FN — CID 20672260

IUPAC3-fluoro-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCC(F)C1
InChIInChI=1S/C8H16FN/c1-7(2)5-10-4-3-8(9)6-10/h7-8H,3-6H2,1-2H3
InChIKeyWMMAPRYDYINTAF-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.69
Rot. Bonds2

About 3-fluoro-1-(2-methylpropyl)pyrrolidine

3-fluoro-1-(2-methylpropyl)pyrrolidine (PubChem CID 20672260) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-fluoro-1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-(2-methylpropyl)pyrrolidine
PubChem CID20672260
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-fluoro-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCC(F)C1
InChIInChI=1S/C8H16FN/c1-7(2)5-10-4-3-8(9)6-10/h7-8H,3-6H2,1-2H3
InChIKeyWMMAPRYDYINTAF-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Butylpyrrolidine
CID 69843
Pyrrolidine, 1-(2-methylpropyl)-
CID 142348
1-Butyl-1-methylpyrrolidinium
CID 11009533
3-Methyl-1-pyrrolidinobutane
CID 12869920
1-Methyl-1-propylpyrrolidinium
CID 12059918
3-Fluoro-1-methylpyrrolidine
CID 57749492
fluoro-N-methylpyrrolidine
CID 89989596
1-(1,1-Difluoro-2,2-dimethylpropyl)pyrrolidine
CID 101453500
N-(2'-Methylbutyl)pyrrolidine
CID 15180078
fluoro-N-propyl-3,4-dimethylpyrrolidine
CID 129762197
1,1-Diethylpyrrolidin-1-ium
CID 122439
N,N-dibutyl-1-fluoro-2-methylpropan-1-amine
CID 20735606

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-methylpropyl)pyrrolidine?
The IUPAC name of 3-fluoro-1-(2-methylpropyl)pyrrolidine (CID 20672260) is 3-fluoro-1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 3-fluoro-1-(2-methylpropyl)pyrrolidine is CC(C)CN1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-(2-methylpropyl)pyrrolidine?
The InChIKey is WMMAPRYDYINTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-7(2)5-10-4-3-8(9)6-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-1-(2-methylpropyl)pyrrolidine?
3-fluoro-1-(2-methylpropyl)pyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 20672260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).