ethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide

C16H26F3NO — CID 142047078

IUPACethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide
SMILESC=C/C=C\C(=C/C=C)CC.CC.CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H14.C4H6F3NO.C2H6/c1-4-7-9-10(6-3)8-5-2;1-8(2)3(9)4(5,6)7;1-2/h4-5,7-9H,1-2,6H2,3H3;1-2H3;1-2H3/b9-7-,10-8-;;
InChIKeyYWBZWYAXMJVSGC-RXRQIEPESA-N
MW305.38 g/mol
LogP4.91
Rot. Bonds4

About ethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide

ethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide (PubChem CID 142047078) has the molecular formula C16H26F3NO and a molecular weight of 305.38 g/mol. Its IUPAC name is ethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide.

Molecular Properties

Compound Nameethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide
PubChem CID142047078
Molecular FormulaC16H26F3NO
Molecular Weight305.38 g/mol
Exact Mass305.20
IUPAC Nameethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide
SMILESC=C/C=C\C(=C/C=C)CC.CC.CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H14.C4H6F3NO.C2H6/c1-4-7-9-10(6-3)8-5-2;1-8(2)3(9)4(5,6)7;1-2/h4-5,7-9H,1-2,6H2,3H3;1-2H3;1-2H3/b9-7-,10-8-;;
InChIKeyYWBZWYAXMJVSGC-RXRQIEPESA-N
XLogP4.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
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 ethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide?
The IUPAC name of ethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide (CID 142047078) is ethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide.
What is the SMILES notation for ethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide?
The canonical SMILES for ethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide is C=C/C=C\C(=C/C=C)CC.CC.CN(C)C(=O)C(F)(F)F.
What is the InChIKey of ethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide?
The InChIKey is YWBZWYAXMJVSGC-RXRQIEPESA-N. The full InChI is InChI=1S/C10H14.C4H6F3NO.C2H6/c1-4-7-9-10(6-3)8-5-2;1-8(2)3(9)4(5,6)7;1-2/h4-5,7-9H,1-2,6H2,3H3;1-2H3;1-2H3/b9-7-,10-8-;;.
What are the key properties of ethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide?
ethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide has a molecular weight of 305.38 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide is sourced from PubChem (CID 142047078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).