3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine

C10H14FNOS — CID 144882259

IUPAC3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine
SMILESC=C(F)/C=C\C(=C)S(=O)C1CCNC1
InChIInChI=1S/C10H14FNOS/c1-8(11)3-4-9(2)14(13)10-5-6-12-7-10/h3-4,10,12H,1-2,5-7H2/b4-3-
InChIKeyBJUBBFOVIBIAQZ-ARJAWSKDSA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds4

About 3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine

3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine (PubChem CID 144882259) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine.

Molecular Properties

Compound Name3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine
PubChem CID144882259
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine
SMILESC=C(F)/C=C\C(=C)S(=O)C1CCNC1
InChIInChI=1S/C10H14FNOS/c1-8(11)3-4-9(2)14(13)10-5-6-12-7-10/h3-4,10,12H,1-2,5-7H2/b4-3-
InChIKeyBJUBBFOVIBIAQZ-ARJAWSKDSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-ethyl-2-fluoro-3-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfinylpropan-1-amine
CID 152890764

Frequently Asked Questions

What is the IUPAC name of 3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine?
The IUPAC name of 3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine (CID 144882259) is 3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine.
What is the SMILES notation for 3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine?
The canonical SMILES for 3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine is C=C(F)/C=C\C(=C)S(=O)C1CCNC1.
What is the InChIKey of 3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine?
The InChIKey is BJUBBFOVIBIAQZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-8(11)3-4-9(2)14(13)10-5-6-12-7-10/h3-4,10,12H,1-2,5-7H2/b4-3-.
What are the key properties of 3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine?
3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine has a molecular weight of 215.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine is sourced from PubChem (CID 144882259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).