(3S)-1-(3-fluoropropyl)-3-methylpyrrolidine

C8H16FN — CID 142351294

IUPAC(3S)-1-(3-fluoropropyl)-3-methylpyrrolidine
SMILESC[C@H]1CCN(CCCF)C1
InChIInChI=1S/C8H16FN/c1-8-3-6-10(7-8)5-2-4-9/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyFXEYXAKLWISVHJ-QMMMGPOBSA-N
MW145.22 g/mol
LogP1.69
Rot. Bonds3

About (3S)-1-(3-fluoropropyl)-3-methylpyrrolidine

(3S)-1-(3-fluoropropyl)-3-methylpyrrolidine (PubChem CID 142351294) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (3S)-1-(3-fluoropropyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name(3S)-1-(3-fluoropropyl)-3-methylpyrrolidine
PubChem CID142351294
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(3S)-1-(3-fluoropropyl)-3-methylpyrrolidine
SMILESC[C@H]1CCN(CCCF)C1
InChIInChI=1S/C8H16FN/c1-8-3-6-10(7-8)5-2-4-9/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyFXEYXAKLWISVHJ-QMMMGPOBSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-fluoropropyl)-3-methylpyrrolidine?
The IUPAC name of (3S)-1-(3-fluoropropyl)-3-methylpyrrolidine (CID 142351294) is (3S)-1-(3-fluoropropyl)-3-methylpyrrolidine.
What is the SMILES notation for (3S)-1-(3-fluoropropyl)-3-methylpyrrolidine?
The canonical SMILES for (3S)-1-(3-fluoropropyl)-3-methylpyrrolidine is C[C@H]1CCN(CCCF)C1.
What is the InChIKey of (3S)-1-(3-fluoropropyl)-3-methylpyrrolidine?
The InChIKey is FXEYXAKLWISVHJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16FN/c1-8-3-6-10(7-8)5-2-4-9/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-(3-fluoropropyl)-3-methylpyrrolidine?
(3S)-1-(3-fluoropropyl)-3-methylpyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-fluoropropyl)-3-methylpyrrolidine is sourced from PubChem (CID 142351294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).