N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine

C16H28F3N — CID 11033637

IUPACN-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine
SMILESCCCCCCC(/C=C/C(F)(F)F)NC1CCCCC1
InChIInChI=1S/C16H28F3N/c1-2-3-4-6-11-15(12-13-16(17,18)19)20-14-9-7-5-8-10-14/h12-15,20H,2-11H2,1H3/b13-12+
InChIKeyULKIKLWVYNMFBW-OUKQBFOZSA-N
MW291.40 g/mol
LogP5.37
Rot. Bonds8

About N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine

N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine (PubChem CID 11033637) has the molecular formula C16H28F3N and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine.

Molecular Properties

Compound NameN-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine
PubChem CID11033637
Molecular FormulaC16H28F3N
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC NameN-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine
SMILESCCCCCCC(/C=C/C(F)(F)F)NC1CCCCC1
InChIInChI=1S/C16H28F3N/c1-2-3-4-6-11-15(12-13-16(17,18)19)20-14-9-7-5-8-10-14/h12-15,20H,2-11H2,1H3/b13-12+
InChIKeyULKIKLWVYNMFBW-OUKQBFOZSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.40
LogP ≤ 55.37
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine?
The IUPAC name of N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine (CID 11033637) is N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine.
What is the SMILES notation for N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine?
The canonical SMILES for N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine is CCCCCCC(/C=C/C(F)(F)F)NC1CCCCC1.
What is the InChIKey of N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine?
The InChIKey is ULKIKLWVYNMFBW-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H28F3N/c1-2-3-4-6-11-15(12-13-16(17,18)19)20-14-9-7-5-8-10-14/h12-15,20H,2-11H2,1H3/b13-12+.
What are the key properties of N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine?
N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine has a molecular weight of 291.40 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine is sourced from PubChem (CID 11033637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).