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

C11H20FNOS — CID 152890764

IUPAC(2R)-N-ethyl-2-fluoro-3-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfinylpropan-1-amine
SMILESC/C=C\C(=C/C)S(=O)C[C@H](F)CNCC
InChIInChI=1S/C11H20FNOS/c1-4-7-11(5-2)15(14)9-10(12)8-13-6-3/h4-5,7,10,13H,6,8-9H2,1-3H3/b7-4-,11-5+/t10-,15?/m1/s1
InChIKeyUDKDIJOXDUVYBF-URCJDCBQSA-N
MW233.35 g/mol
LogP2.16
Rot. Bonds7

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

(2R)-N-ethyl-2-fluoro-3-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfinylpropan-1-amine (PubChem CID 152890764) has the molecular formula C11H20FNOS and a molecular weight of 233.35 g/mol. Its IUPAC name is (2R)-N-ethyl-2-fluoro-3-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfinylpropan-1-amine.

Molecular Properties

Compound Name(2R)-N-ethyl-2-fluoro-3-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfinylpropan-1-amine
PubChem CID152890764
Molecular FormulaC11H20FNOS
Molecular Weight233.35 g/mol
Exact Mass233.12
IUPAC Name(2R)-N-ethyl-2-fluoro-3-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfinylpropan-1-amine
SMILESC/C=C\C(=C/C)S(=O)C[C@H](F)CNCC
InChIInChI=1S/C11H20FNOS/c1-4-7-11(5-2)15(14)9-10(12)8-13-6-3/h4-5,7,10,13H,6,8-9H2,1-3H3/b7-4-,11-5+/t10-,15?/m1/s1
InChIKeyUDKDIJOXDUVYBF-URCJDCBQSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

3-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]sulfinylpyrrolidine
CID 144882259
N-ethyl-3-prop-2-enylsulfinylpropan-1-amine
CID 13493121
ethane;N-[2-[(3E)-hexa-1,3,5-trien-3-yl]sulfonylethyl]butan-1-amine
CID 145686480
(E)-N-(2-methylsulfinylpropyl)but-2-en-1-amine
CID 107899263
(E)-N-(3-methylsulfinylpropyl)but-2-en-1-amine
CID 107899268
N-[(E)-but-2-enyl]-3-methylsulfinylbutan-1-amine
CID 107899273
(E)-N-(2-ethylsulfinylethyl)but-2-en-1-amine
CID 107899280
N-[2-[(3E)-hexa-1,3,5-trien-3-yl]sulfonylethyl]butan-1-amine
CID 145686481
N-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylbutan-1-amine
CID 156645138

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-fluoro-3-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfinylpropan-1-amine?
The IUPAC name of (2R)-N-ethyl-2-fluoro-3-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfinylpropan-1-amine (CID 152890764) is (2R)-N-ethyl-2-fluoro-3-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfinylpropan-1-amine.
What is the SMILES notation for (2R)-N-ethyl-2-fluoro-3-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfinylpropan-1-amine?
The canonical SMILES for (2R)-N-ethyl-2-fluoro-3-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfinylpropan-1-amine is C/C=C\C(=C/C)S(=O)C[C@H](F)CNCC.
What is the InChIKey of (2R)-N-ethyl-2-fluoro-3-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfinylpropan-1-amine?
The InChIKey is UDKDIJOXDUVYBF-URCJDCBQSA-N. The full InChI is InChI=1S/C11H20FNOS/c1-4-7-11(5-2)15(14)9-10(12)8-13-6-3/h4-5,7,10,13H,6,8-9H2,1-3H3/b7-4-,11-5+/t10-,15?/m1/s1.
What are the key properties of (2R)-N-ethyl-2-fluoro-3-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfinylpropan-1-amine?
(2R)-N-ethyl-2-fluoro-3-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfinylpropan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-fluoro-3-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfinylpropan-1-amine is sourced from PubChem (CID 152890764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).