(3R)-1-butyl-3-fluoropyrrolidine

C8H16FN — CID 58221929

IUPAC(3R)-1-butyl-3-fluoropyrrolidine
SMILESCCCCN1CC[C@@H](F)C1
InChIInChI=1S/C8H16FN/c1-2-3-5-10-6-4-8(9)7-10/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyXZOBFDPJUMGMSF-MRVPVSSYSA-N
MW145.22 g/mol
LogP1.83
Rot. Bonds3

About (3R)-1-butyl-3-fluoropyrrolidine

(3R)-1-butyl-3-fluoropyrrolidine (PubChem CID 58221929) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (3R)-1-butyl-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3R)-1-butyl-3-fluoropyrrolidine
PubChem CID58221929
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(3R)-1-butyl-3-fluoropyrrolidine
SMILESCCCCN1CC[C@@H](F)C1
InChIInChI=1S/C8H16FN/c1-2-3-5-10-6-4-8(9)7-10/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyXZOBFDPJUMGMSF-MRVPVSSYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-butyl-3-fluoropyrrolidine?
The IUPAC name of (3R)-1-butyl-3-fluoropyrrolidine (CID 58221929) is (3R)-1-butyl-3-fluoropyrrolidine.
What is the SMILES notation for (3R)-1-butyl-3-fluoropyrrolidine?
The canonical SMILES for (3R)-1-butyl-3-fluoropyrrolidine is CCCCN1CC[C@@H](F)C1.
What is the InChIKey of (3R)-1-butyl-3-fluoropyrrolidine?
The InChIKey is XZOBFDPJUMGMSF-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16FN/c1-2-3-5-10-6-4-8(9)7-10/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-1-butyl-3-fluoropyrrolidine?
(3R)-1-butyl-3-fluoropyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butyl-3-fluoropyrrolidine is sourced from PubChem (CID 58221929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).