(Z)-4-[[(2E,7Z)-9-fluoro-2,3-dimethylnona-2,7-dienyl]-methylamino]but-2-en-1-ol

C16H28FNO — CID 167084122

IUPAC(Z)-4-[[(2E,7Z)-9-fluoro-2,3-dimethylnona-2,7-dienyl]-methylamino]but-2-en-1-ol
SMILESC/C(CCC/C=C\CF)=C(/C)CN(C)C/C=C\CO
InChIInChI=1S/C16H28FNO/c1-15(10-6-4-5-7-11-17)16(2)14-18(3)12-8-9-13-19/h5,7-9,19H,4,6,10-14H2,1-3H3/b7-5-,9-8-,16-15+
InChIKeyKIZFYLKUAZBGAL-WAPFNMAESA-N
MW269.40 g/mol
LogP3.50
Rot. Bonds10

About (Z)-4-[[(2E,7Z)-9-fluoro-2,3-dimethylnona-2,7-dienyl]-methylamino]but-2-en-1-ol

(Z)-4-[[(2E,7Z)-9-fluoro-2,3-dimethylnona-2,7-dienyl]-methylamino]but-2-en-1-ol (PubChem CID 167084122) has the molecular formula C16H28FNO and a molecular weight of 269.40 g/mol. Its IUPAC name is (Z)-4-[[(2E,7Z)-9-fluoro-2,3-dimethylnona-2,7-dienyl]-methylamino]but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-[[(2E,7Z)-9-fluoro-2,3-dimethylnona-2,7-dienyl]-methylamino]but-2-en-1-ol
PubChem CID167084122
Molecular FormulaC16H28FNO
Molecular Weight269.40 g/mol
Exact Mass269.22
IUPAC Name(Z)-4-[[(2E,7Z)-9-fluoro-2,3-dimethylnona-2,7-dienyl]-methylamino]but-2-en-1-ol
SMILESC/C(CCC/C=C\CF)=C(/C)CN(C)C/C=C\CO
InChIInChI=1S/C16H28FNO/c1-15(10-6-4-5-7-11-17)16(2)14-18(3)12-8-9-13-19/h5,7-9,19H,4,6,10-14H2,1-3H3/b7-5-,9-8-,16-15+
InChIKeyKIZFYLKUAZBGAL-WAPFNMAESA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[[(2E,7Z)-9-fluoro-2,3-dimethylnona-2,7-dienyl]-methylamino]but-2-en-1-ol?
The IUPAC name of (Z)-4-[[(2E,7Z)-9-fluoro-2,3-dimethylnona-2,7-dienyl]-methylamino]but-2-en-1-ol (CID 167084122) is (Z)-4-[[(2E,7Z)-9-fluoro-2,3-dimethylnona-2,7-dienyl]-methylamino]but-2-en-1-ol.
What is the SMILES notation for (Z)-4-[[(2E,7Z)-9-fluoro-2,3-dimethylnona-2,7-dienyl]-methylamino]but-2-en-1-ol?
The canonical SMILES for (Z)-4-[[(2E,7Z)-9-fluoro-2,3-dimethylnona-2,7-dienyl]-methylamino]but-2-en-1-ol is C/C(CCC/C=C\CF)=C(/C)CN(C)C/C=C\CO.
What is the InChIKey of (Z)-4-[[(2E,7Z)-9-fluoro-2,3-dimethylnona-2,7-dienyl]-methylamino]but-2-en-1-ol?
The InChIKey is KIZFYLKUAZBGAL-WAPFNMAESA-N. The full InChI is InChI=1S/C16H28FNO/c1-15(10-6-4-5-7-11-17)16(2)14-18(3)12-8-9-13-19/h5,7-9,19H,4,6,10-14H2,1-3H3/b7-5-,9-8-,16-15+.
What are the key properties of (Z)-4-[[(2E,7Z)-9-fluoro-2,3-dimethylnona-2,7-dienyl]-methylamino]but-2-en-1-ol?
(Z)-4-[[(2E,7Z)-9-fluoro-2,3-dimethylnona-2,7-dienyl]-methylamino]but-2-en-1-ol has a molecular weight of 269.40 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[[(2E,7Z)-9-fluoro-2,3-dimethylnona-2,7-dienyl]-methylamino]but-2-en-1-ol is sourced from PubChem (CID 167084122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).