(Z,4E)-1-fluoro-3-methoxy-8-methylsulfonyl-4-propylideneoct-5-en-2-amine

C13H24FNO3S — CID 129313438

IUPAC(Z,4E)-1-fluoro-3-methoxy-8-methylsulfonyl-4-propylideneoct-5-en-2-amine
SMILESCC/C=C(\C=C/CCS(C)(=O)=O)C(OC)C(N)CF
InChIInChI=1S/C13H24FNO3S/c1-4-7-11(13(18-2)12(15)10-14)8-5-6-9-19(3,16)17/h5,7-8,12-13H,4,6,9-10,15H2,1-3H3/b8-5-,11-7+
InChIKeyFYHXXAKSBYJZLC-NDYCNEGQSA-N
MW293.40 g/mol
LogP1.63
Rot. Bonds9

About (Z,4E)-1-fluoro-3-methoxy-8-methylsulfonyl-4-propylideneoct-5-en-2-amine

(Z,4E)-1-fluoro-3-methoxy-8-methylsulfonyl-4-propylideneoct-5-en-2-amine (PubChem CID 129313438) has the molecular formula C13H24FNO3S and a molecular weight of 293.40 g/mol. Its IUPAC name is (Z,4E)-1-fluoro-3-methoxy-8-methylsulfonyl-4-propylideneoct-5-en-2-amine.

Molecular Properties

Compound Name(Z,4E)-1-fluoro-3-methoxy-8-methylsulfonyl-4-propylideneoct-5-en-2-amine
PubChem CID129313438
Molecular FormulaC13H24FNO3S
Molecular Weight293.40 g/mol
Exact Mass293.15
IUPAC Name(Z,4E)-1-fluoro-3-methoxy-8-methylsulfonyl-4-propylideneoct-5-en-2-amine
SMILESCC/C=C(\C=C/CCS(C)(=O)=O)C(OC)C(N)CF
InChIInChI=1S/C13H24FNO3S/c1-4-7-11(13(18-2)12(15)10-14)8-5-6-9-19(3,16)17/h5,7-8,12-13H,4,6,9-10,15H2,1-3H3/b8-5-,11-7+
InChIKeyFYHXXAKSBYJZLC-NDYCNEGQSA-N
XLogP1.63
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4E)-1-fluoro-3-methoxy-8-methylsulfonyl-4-propylideneoct-5-en-2-amine?
The IUPAC name of (Z,4E)-1-fluoro-3-methoxy-8-methylsulfonyl-4-propylideneoct-5-en-2-amine (CID 129313438) is (Z,4E)-1-fluoro-3-methoxy-8-methylsulfonyl-4-propylideneoct-5-en-2-amine.
What is the SMILES notation for (Z,4E)-1-fluoro-3-methoxy-8-methylsulfonyl-4-propylideneoct-5-en-2-amine?
The canonical SMILES for (Z,4E)-1-fluoro-3-methoxy-8-methylsulfonyl-4-propylideneoct-5-en-2-amine is CC/C=C(\C=C/CCS(C)(=O)=O)C(OC)C(N)CF.
What is the InChIKey of (Z,4E)-1-fluoro-3-methoxy-8-methylsulfonyl-4-propylideneoct-5-en-2-amine?
The InChIKey is FYHXXAKSBYJZLC-NDYCNEGQSA-N. The full InChI is InChI=1S/C13H24FNO3S/c1-4-7-11(13(18-2)12(15)10-14)8-5-6-9-19(3,16)17/h5,7-8,12-13H,4,6,9-10,15H2,1-3H3/b8-5-,11-7+.
What are the key properties of (Z,4E)-1-fluoro-3-methoxy-8-methylsulfonyl-4-propylideneoct-5-en-2-amine?
(Z,4E)-1-fluoro-3-methoxy-8-methylsulfonyl-4-propylideneoct-5-en-2-amine has a molecular weight of 293.40 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-1-fluoro-3-methoxy-8-methylsulfonyl-4-propylideneoct-5-en-2-amine is sourced from PubChem (CID 129313438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).