(3S)-3-fluoropyrrolidin-1-ium

C4H9FN+ — CID 7016276

IUPAC(3S)-3-fluoropyrrolidin-1-ium
SMILESF[C@H]1CC[NH2+]C1
InChIInChI=1S/C4H8FN/c5-4-1-2-6-3-4/h4,6H,1-3H2/p+1/t4-/m0/s1
InChIKeyCDDGNGVFPQRJJM-BYPYZUCNSA-O
MW90.12 g/mol
LogP-0.71
Rot. Bonds

About (3S)-3-fluoropyrrolidin-1-ium

(3S)-3-fluoropyrrolidin-1-ium (PubChem CID 7016276) has the molecular formula C4H9FN+ and a molecular weight of 90.12 g/mol. Its IUPAC name is (3S)-3-fluoropyrrolidin-1-ium.

Molecular Properties

Compound Name(3S)-3-fluoropyrrolidin-1-ium
PubChem CID7016276
Molecular FormulaC4H9FN+
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Name(3S)-3-fluoropyrrolidin-1-ium
SMILESF[C@H]1CC[NH2+]C1
InChIInChI=1S/C4H8FN/c5-4-1-2-6-3-4/h4,6H,1-3H2/p+1/t4-/m0/s1
InChIKeyCDDGNGVFPQRJJM-BYPYZUCNSA-O
XLogP-0.71
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Pyrrolidine
CID 31268
Pyrrolidine, hydrochloride (1:1)
CID 212848
Pyrrolidine, 3-fluoro-
CID 3744989
Pyrrolidine Hydrobromide
CID 18621471
3,3-Difluoropyrrolidine hydrochloride
CID 24903482
Pyrrolidinium ion
CID 3613359
3,3-Difluoropyrrolidine
CID 2782827
(3R)-3-fluoropyrrolidine hydrochloride
CID 2759162
Pyrrolidine Hydriodide
CID 12196047
Pyrrolidine-2,2,3,3,4,4,5,5-d8
CID 12196044
3-Fluoropyrrolidine hydrochloride
CID 21975228
3-Fluoro-3-methylpyrrolidine hydrochloride
CID 71757729

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoropyrrolidin-1-ium?
The IUPAC name of (3S)-3-fluoropyrrolidin-1-ium (CID 7016276) is (3S)-3-fluoropyrrolidin-1-ium.
What is the SMILES notation for (3S)-3-fluoropyrrolidin-1-ium?
The canonical SMILES for (3S)-3-fluoropyrrolidin-1-ium is F[C@H]1CC[NH2+]C1.
What is the InChIKey of (3S)-3-fluoropyrrolidin-1-ium?
The InChIKey is CDDGNGVFPQRJJM-BYPYZUCNSA-O. The full InChI is InChI=1S/C4H8FN/c5-4-1-2-6-3-4/h4,6H,1-3H2/p+1/t4-/m0/s1.
What are the key properties of (3S)-3-fluoropyrrolidin-1-ium?
(3S)-3-fluoropyrrolidin-1-ium has a molecular weight of 90.12 g/mol, XLogP of -0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoropyrrolidin-1-ium is sourced from PubChem (CID 7016276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).