(3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine

C8H14FN — CID 146510045

IUPAC(3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine
SMILESC/C=C(/C)[C@@H]1CNC[C@@H]1F
InChIInChI=1S/C8H14FN/c1-3-6(2)7-4-10-5-8(7)9/h3,7-8,10H,4-5H2,1-2H3/b6-3-/t7-,8-/m0/s1
InChIKeyFFIMEPWWIHPFTB-BYHGJBBWSA-N
MW143.21 g/mol
LogP1.51
Rot. Bonds1

About (3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine

(3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine (PubChem CID 146510045) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is (3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine
PubChem CID146510045
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name(3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine
SMILESC/C=C(/C)[C@@H]1CNC[C@@H]1F
InChIInChI=1S/C8H14FN/c1-3-6(2)7-4-10-5-8(7)9/h3,7-8,10H,4-5H2,1-2H3/b6-3-/t7-,8-/m0/s1
InChIKeyFFIMEPWWIHPFTB-BYHGJBBWSA-N
XLogP1.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine?
The IUPAC name of (3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine (CID 146510045) is (3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine.
What is the SMILES notation for (3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine?
The canonical SMILES for (3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine is C/C=C(/C)[C@@H]1CNC[C@@H]1F.
What is the InChIKey of (3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine?
The InChIKey is FFIMEPWWIHPFTB-BYHGJBBWSA-N. The full InChI is InChI=1S/C8H14FN/c1-3-6(2)7-4-10-5-8(7)9/h3,7-8,10H,4-5H2,1-2H3/b6-3-/t7-,8-/m0/s1.
What are the key properties of (3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine?
(3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine has a molecular weight of 143.21 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine is sourced from PubChem (CID 146510045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).