N-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide

C19H30FNO — CID 177040586

IUPACN-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide
SMILESCCC/C=C(C)\C=C(F)/C(=C\CCCC=C(C)C)NC(C)=O
InChIInChI=1S/C19H30FNO/c1-6-7-12-16(4)14-18(20)19(21-17(5)22)13-10-8-9-11-15(2)3/h11-14H,6-10H2,1-5H3,(H,21,22)/b16-12-,18-14+,19-13+
InChIKeyVWEPSDRLWBWVEP-QRVRAVQDSA-N
MW307.45 g/mol
LogP5.74
Rot. Bonds9

About N-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide

N-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide (PubChem CID 177040586) has the molecular formula C19H30FNO and a molecular weight of 307.45 g/mol. Its IUPAC name is N-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide.

Molecular Properties

Compound NameN-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide
PubChem CID177040586
Molecular FormulaC19H30FNO
Molecular Weight307.45 g/mol
Exact Mass307.23
IUPAC NameN-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide
SMILESCCC/C=C(C)\C=C(F)/C(=C\CCCC=C(C)C)NC(C)=O
InChIInChI=1S/C19H30FNO/c1-6-7-12-16(4)14-18(20)19(21-17(5)22)13-10-8-9-11-15(2)3/h11-14H,6-10H2,1-5H3,(H,21,22)/b16-12-,18-14+,19-13+
InChIKeyVWEPSDRLWBWVEP-QRVRAVQDSA-N
XLogP5.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.45
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide?
The IUPAC name of N-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide (CID 177040586) is N-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide.
What is the SMILES notation for N-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide?
The canonical SMILES for N-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide is CCC/C=C(C)\C=C(F)/C(=C\CCCC=C(C)C)NC(C)=O.
What is the InChIKey of N-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide?
The InChIKey is VWEPSDRLWBWVEP-QRVRAVQDSA-N. The full InChI is InChI=1S/C19H30FNO/c1-6-7-12-16(4)14-18(20)19(21-17(5)22)13-10-8-9-11-15(2)3/h11-14H,6-10H2,1-5H3,(H,21,22)/b16-12-,18-14+,19-13+.
What are the key properties of N-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide?
N-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide has a molecular weight of 307.45 g/mol, XLogP of 5.74, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide is sourced from PubChem (CID 177040586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).