7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine

C16H26F3N — CID 130182822

IUPAC7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine
SMILESCC/C=C(C)\C=C/CC/N=C(\C)CCCCC(F)(F)F
InChIInChI=1S/C16H26F3N/c1-4-9-14(2)10-6-8-13-20-15(3)11-5-7-12-16(17,18)19/h6,9-10H,4-5,7-8,11-13H2,1-3H3/b10-6-,14-9-,20-15+
InChIKeyYIARSQYIDUZIIV-RGOVFEBCSA-N
MW289.39 g/mol
LogP5.87
Rot. Bonds9

About 7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine

7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine (PubChem CID 130182822) has the molecular formula C16H26F3N and a molecular weight of 289.39 g/mol. Its IUPAC name is 7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine.

Molecular Properties

Compound Name7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine
PubChem CID130182822
Molecular FormulaC16H26F3N
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine
SMILESCC/C=C(C)\C=C/CC/N=C(\C)CCCCC(F)(F)F
InChIInChI=1S/C16H26F3N/c1-4-9-14(2)10-6-8-13-20-15(3)11-5-7-12-16(17,18)19/h6,9-10H,4-5,7-8,11-13H2,1-3H3/b10-6-,14-9-,20-15+
InChIKeyYIARSQYIDUZIIV-RGOVFEBCSA-N
XLogP5.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.39
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine?
The IUPAC name of 7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine (CID 130182822) is 7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine.
What is the SMILES notation for 7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine?
The canonical SMILES for 7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine is CC/C=C(C)\C=C/CC/N=C(\C)CCCCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine?
The InChIKey is YIARSQYIDUZIIV-RGOVFEBCSA-N. The full InChI is InChI=1S/C16H26F3N/c1-4-9-14(2)10-6-8-13-20-15(3)11-5-7-12-16(17,18)19/h6,9-10H,4-5,7-8,11-13H2,1-3H3/b10-6-,14-9-,20-15+.
What are the key properties of 7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine?
7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine has a molecular weight of 289.39 g/mol, XLogP of 5.87, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine is sourced from PubChem (CID 130182822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).