(Z,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid

C12H20FNO2 — CID 143168813

IUPAC(Z,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid
SMILESCC/C=C(\C=C/C(C)F)CC(NC)C(=O)O
InChIInChI=1S/C12H20FNO2/c1-4-5-10(7-6-9(2)13)8-11(14-3)12(15)16/h5-7,9,11,14H,4,8H2,1-3H3,(H,15,16)/b7-6-,10-5+
InChIKeyRWEWEGXTDATQCT-JQEGGOPCSA-N
MW229.29 g/mol
LogP2.30
Rot. Bonds7

About (Z,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid

(Z,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid (PubChem CID 143168813) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is (Z,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid.

Molecular Properties

Compound Name(Z,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid
PubChem CID143168813
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC Name(Z,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid
SMILESCC/C=C(\C=C/C(C)F)CC(NC)C(=O)O
InChIInChI=1S/C12H20FNO2/c1-4-5-10(7-6-9(2)13)8-11(14-3)12(15)16/h5-7,9,11,14H,4,8H2,1-3H3,(H,15,16)/b7-6-,10-5+
InChIKeyRWEWEGXTDATQCT-JQEGGOPCSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid?
The IUPAC name of (Z,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid (CID 143168813) is (Z,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid.
What is the SMILES notation for (Z,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid?
The canonical SMILES for (Z,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid is CC/C=C(\C=C/C(C)F)CC(NC)C(=O)O.
What is the InChIKey of (Z,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid?
The InChIKey is RWEWEGXTDATQCT-JQEGGOPCSA-N. The full InChI is InChI=1S/C12H20FNO2/c1-4-5-10(7-6-9(2)13)8-11(14-3)12(15)16/h5-7,9,11,14H,4,8H2,1-3H3,(H,15,16)/b7-6-,10-5+.
What are the key properties of (Z,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid?
(Z,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid has a molecular weight of 229.29 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-7-fluoro-2-(methylamino)-4-propylideneoct-5-enoic acid is sourced from PubChem (CID 143168813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).