N-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide

C11H16FNO — CID 143502173

IUPACN-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide
SMILESC=C/C(F)=C(\C=C(/C)CC)NC(C)=O
InChIInChI=1S/C11H16FNO/c1-5-8(3)7-11(10(12)6-2)13-9(4)14/h6-7H,2,5H2,1,3-4H3,(H,13,14)/b8-7+,11-10-
InChIKeyQTKPAWLKTHUKQR-LFOHPMNASA-N
MW197.25 g/mol
LogP2.85
Rot. Bonds4

About N-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide

N-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide (PubChem CID 143502173) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is N-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide
PubChem CID143502173
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC NameN-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide
SMILESC=C/C(F)=C(\C=C(/C)CC)NC(C)=O
InChIInChI=1S/C11H16FNO/c1-5-8(3)7-11(10(12)6-2)13-9(4)14/h6-7H,2,5H2,1,3-4H3,(H,13,14)/b8-7+,11-10-
InChIKeyQTKPAWLKTHUKQR-LFOHPMNASA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide?
The IUPAC name of N-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide (CID 143502173) is N-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide.
What is the SMILES notation for N-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide?
The canonical SMILES for N-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide is C=C/C(F)=C(\C=C(/C)CC)NC(C)=O.
What is the InChIKey of N-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide?
The InChIKey is QTKPAWLKTHUKQR-LFOHPMNASA-N. The full InChI is InChI=1S/C11H16FNO/c1-5-8(3)7-11(10(12)6-2)13-9(4)14/h6-7H,2,5H2,1,3-4H3,(H,13,14)/b8-7+,11-10-.
What are the key properties of N-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide?
N-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide has a molecular weight of 197.25 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide is sourced from PubChem (CID 143502173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).