(3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine

C7H12FN — CID 170641790

IUPAC(3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CC[C@@H](F)C1
InChIInChI=1S/C7H12FN/c1-6(2)9-4-3-7(8)5-9/h7H,1,3-5H2,2H3/t7-/m1/s1
InChIKeyRALRWGYKDGGAHH-SSDOTTSWSA-N
MW129.18 g/mol
LogP1.56
Rot. Bonds1

About (3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine

(3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine (PubChem CID 170641790) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine
PubChem CID170641790
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CC[C@@H](F)C1
InChIInChI=1S/C7H12FN/c1-6(2)9-4-3-7(8)5-9/h7H,1,3-5H2,2H3/t7-/m1/s1
InChIKeyRALRWGYKDGGAHH-SSDOTTSWSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine?
The IUPAC name of (3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine (CID 170641790) is (3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for (3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for (3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine is C=C(C)N1CC[C@@H](F)C1.
What is the InChIKey of (3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine?
The InChIKey is RALRWGYKDGGAHH-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12FN/c1-6(2)9-4-3-7(8)5-9/h7H,1,3-5H2,2H3/t7-/m1/s1.
What are the key properties of (3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine?
(3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine has a molecular weight of 129.18 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-1-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 170641790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).