2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide

C19H32FNO — CID 154971019

IUPAC2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN(C)C(=O)C(C)F
InChIInChI=1S/C19H32FNO/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-21(6)19(22)18(5)20/h9,11,13,18H,7-8,10,12,14H2,1-6H3/b16-11+,17-13+
InChIKeyUCEFTTFHXGHRNB-IUBLYSDUSA-N
MW309.47 g/mol
LogP5.22
Rot. Bonds9

About 2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide

2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide (PubChem CID 154971019) has the molecular formula C19H32FNO and a molecular weight of 309.47 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide
PubChem CID154971019
Molecular FormulaC19H32FNO
Molecular Weight309.47 g/mol
Exact Mass309.25
IUPAC Name2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN(C)C(=O)C(C)F
InChIInChI=1S/C19H32FNO/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-21(6)19(22)18(5)20/h9,11,13,18H,7-8,10,12,14H2,1-6H3/b16-11+,17-13+
InChIKeyUCEFTTFHXGHRNB-IUBLYSDUSA-N
XLogP5.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.47
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide?
The IUPAC name of 2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide (CID 154971019) is 2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/CN(C)C(=O)C(C)F.
What is the InChIKey of 2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide?
The InChIKey is UCEFTTFHXGHRNB-IUBLYSDUSA-N. The full InChI is InChI=1S/C19H32FNO/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-21(6)19(22)18(5)20/h9,11,13,18H,7-8,10,12,14H2,1-6H3/b16-11+,17-13+.
What are the key properties of 2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide?
2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide has a molecular weight of 309.47 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide is sourced from PubChem (CID 154971019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).