(3R)-3-fluoropyrrolidin-1-ium

C4H9FN+ — CID 7016275

IUPAC(3R)-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-/m1/s1
InChIKeyCDDGNGVFPQRJJM-SCSAIBSYSA-O
MW90.12 g/mol
LogP-0.71
Rot. Bonds

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

(3R)-3-fluoropyrrolidin-1-ium (PubChem CID 7016275) has the molecular formula C4H9FN+ and a molecular weight of 90.12 g/mol. Its IUPAC name is (3R)-3-fluoropyrrolidin-1-ium.

Molecular Properties

Compound Name(3R)-3-fluoropyrrolidin-1-ium
PubChem CID7016275
Molecular FormulaC4H9FN+
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Name(3R)-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-/m1/s1
InChIKeyCDDGNGVFPQRJJM-SCSAIBSYSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoropyrrolidin-1-ium?
The IUPAC name of (3R)-3-fluoropyrrolidin-1-ium (CID 7016275) is (3R)-3-fluoropyrrolidin-1-ium.
What is the SMILES notation for (3R)-3-fluoropyrrolidin-1-ium?
The canonical SMILES for (3R)-3-fluoropyrrolidin-1-ium is F[C@@H]1CC[NH2+]C1.
What is the InChIKey of (3R)-3-fluoropyrrolidin-1-ium?
The InChIKey is CDDGNGVFPQRJJM-SCSAIBSYSA-O. The full InChI is InChI=1S/C4H8FN/c5-4-1-2-6-3-4/h4,6H,1-3H2/p+1/t4-/m1/s1.
What are the key properties of (3R)-3-fluoropyrrolidin-1-ium?
(3R)-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 (3R)-3-fluoropyrrolidin-1-ium is sourced from PubChem (CID 7016275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).