(2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide

C15H24FNO — CID 144683875

IUPAC(2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide
SMILESC=C/C=C(/C(=O)NC(C)CCCC)C(F)=C(C)C
InChIInChI=1S/C15H24FNO/c1-6-8-10-12(5)17-15(18)13(9-7-2)14(16)11(3)4/h7,9,12H,2,6,8,10H2,1,3-5H3,(H,17,18)/b13-9+
InChIKeyQHNPFYWNJLUEDO-UKTHLTGXSA-N
MW253.36 g/mol
LogP4.06
Rot. Bonds7

About (2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide

(2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide (PubChem CID 144683875) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is (2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide
PubChem CID144683875
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name(2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide
SMILESC=C/C=C(/C(=O)NC(C)CCCC)C(F)=C(C)C
InChIInChI=1S/C15H24FNO/c1-6-8-10-12(5)17-15(18)13(9-7-2)14(16)11(3)4/h7,9,12H,2,6,8,10H2,1,3-5H3,(H,17,18)/b13-9+
InChIKeyQHNPFYWNJLUEDO-UKTHLTGXSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide?
The IUPAC name of (2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide (CID 144683875) is (2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide.
What is the SMILES notation for (2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide?
The canonical SMILES for (2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide is C=C/C=C(/C(=O)NC(C)CCCC)C(F)=C(C)C.
What is the InChIKey of (2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide?
The InChIKey is QHNPFYWNJLUEDO-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H24FNO/c1-6-8-10-12(5)17-15(18)13(9-7-2)14(16)11(3)4/h7,9,12H,2,6,8,10H2,1,3-5H3,(H,17,18)/b13-9+.
What are the key properties of (2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide?
(2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide has a molecular weight of 253.36 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide is sourced from PubChem (CID 144683875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).