4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylbutan-1-amine

C10H18FNO2S — CID 167138440

IUPAC4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylbutan-1-amine
SMILESC/C=C(\C=C(/C)F)S(=O)(=O)CCCCN
InChIInChI=1S/C10H18FNO2S/c1-3-10(8-9(2)11)15(13,14)7-5-4-6-12/h3,8H,4-7,12H2,1-2H3/b9-8+,10-3+
InChIKeyPARWVUPFDHUOAP-UTDLVPNFSA-N
MW235.32 g/mol
LogP1.92
Rot. Bonds6

About 4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylbutan-1-amine

4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylbutan-1-amine (PubChem CID 167138440) has the molecular formula C10H18FNO2S and a molecular weight of 235.32 g/mol. Its IUPAC name is 4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylbutan-1-amine.

Molecular Properties

Compound Name4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylbutan-1-amine
PubChem CID167138440
Molecular FormulaC10H18FNO2S
Molecular Weight235.32 g/mol
Exact Mass235.10
IUPAC Name4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylbutan-1-amine
SMILESC/C=C(\C=C(/C)F)S(=O)(=O)CCCCN
InChIInChI=1S/C10H18FNO2S/c1-3-10(8-9(2)11)15(13,14)7-5-4-6-12/h3,8H,4-7,12H2,1-2H3/b9-8+,10-3+
InChIKeyPARWVUPFDHUOAP-UTDLVPNFSA-N
XLogP1.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(trifluoromethylsulfonyl)pentan-1-amine
CID 87227705
butane-1,4-diamine;methanesulfonic acid
CID 160759082
9-methylsulfonylnonan-1-amine
CID 101417644
5-ethylsulfonylpentan-1-amine
CID 54172156
4-aminobutane-1-sulfonic acid;butane
CID 172845680
sodium;4-aminobutane-1-sulfonic acid;hydride
CID 173095969
octadecan-1-amine;bis(trifluoromethanesulfonamide)
CID 118481612
3-(3-methylbut-2-enylsulfonyl)propan-1-amine
CID 58684962
3-(5-aminopentylsulfonyl)propan-1-ol
CID 170915360
5-butylsulfonylpentan-1-amine
CID 64698649
2-(6-aminohexylsulfonyl)ethanol
CID 170917653
2-(4-aminobutylsulfonyl)propanoic acid
CID 82180315

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylbutan-1-amine?
The IUPAC name of 4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylbutan-1-amine (CID 167138440) is 4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylbutan-1-amine.
What is the SMILES notation for 4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylbutan-1-amine?
The canonical SMILES for 4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylbutan-1-amine is C/C=C(\C=C(/C)F)S(=O)(=O)CCCCN.
What is the InChIKey of 4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylbutan-1-amine?
The InChIKey is PARWVUPFDHUOAP-UTDLVPNFSA-N. The full InChI is InChI=1S/C10H18FNO2S/c1-3-10(8-9(2)11)15(13,14)7-5-4-6-12/h3,8H,4-7,12H2,1-2H3/b9-8+,10-3+.
What are the key properties of 4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylbutan-1-amine?
4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylbutan-1-amine has a molecular weight of 235.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylbutan-1-amine is sourced from PubChem (CID 167138440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).