N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine

C17H26F3N — CID 126728484

IUPACN-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine
SMILESC/C=C\C(=C/C=C/CC(F)(F)F)CCNC1CCCCC1
InChIInChI=1S/C17H26F3N/c1-2-8-15(9-6-7-13-17(18,19)20)12-14-21-16-10-4-3-5-11-16/h2,6-9,16,21H,3-5,10-14H2,1H3/b7-6+,8-2-,15-9+
InChIKeyVUKRXOSTMVQGRU-BIBVGXBISA-N
MW301.40 g/mol
LogP5.31
Rot. Bonds7

About N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine

N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine (PubChem CID 126728484) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine
PubChem CID126728484
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC NameN-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine
SMILESC/C=C\C(=C/C=C/CC(F)(F)F)CCNC1CCCCC1
InChIInChI=1S/C17H26F3N/c1-2-8-15(9-6-7-13-17(18,19)20)12-14-21-16-10-4-3-5-11-16/h2,6-9,16,21H,3-5,10-14H2,1H3/b7-6+,8-2-,15-9+
InChIKeyVUKRXOSTMVQGRU-BIBVGXBISA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.40
LogP ≤ 55.31
H-Bond Donors ≤ 51
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 N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine?
The IUPAC name of N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine (CID 126728484) is N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine.
What is the SMILES notation for N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine?
The canonical SMILES for N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine is C/C=C\C(=C/C=C/CC(F)(F)F)CCNC1CCCCC1.
What is the InChIKey of N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine?
The InChIKey is VUKRXOSTMVQGRU-BIBVGXBISA-N. The full InChI is InChI=1S/C17H26F3N/c1-2-8-15(9-6-7-13-17(18,19)20)12-14-21-16-10-4-3-5-11-16/h2,6-9,16,21H,3-5,10-14H2,1H3/b7-6+,8-2-,15-9+.
What are the key properties of N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine?
N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine has a molecular weight of 301.40 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine is sourced from PubChem (CID 126728484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).