ethane;(Z,2E)-2-ethylidene-6,6,6-trifluoro-N-hexyl-N-prop-2-enylhex-3-en-1-amine

C19H34F3N — CID 142550133

IUPACethane;(Z,2E)-2-ethylidene-6,6,6-trifluoro-N-hexyl-N-prop-2-enylhex-3-en-1-amine
SMILESC=CCN(CCCCCC)CC(/C=C\CC(F)(F)F)=C/C.CC
InChIInChI=1S/C17H28F3N.C2H6/c1-4-7-8-9-14-21(13-5-2)15-16(6-3)11-10-12-17(18,19)20;1-2/h5-6,10-11H,2,4,7-9,12-15H2,1,3H3;1-2H3/b11-10-,16-6+;
InChIKeyFNCLRKDTEHOKQN-LVPRRMLESA-N
MW333.48 g/mol
LogP6.54
Rot. Bonds11

About ethane;(Z,2E)-2-ethylidene-6,6,6-trifluoro-N-hexyl-N-prop-2-enylhex-3-en-1-amine

ethane;(Z,2E)-2-ethylidene-6,6,6-trifluoro-N-hexyl-N-prop-2-enylhex-3-en-1-amine (PubChem CID 142550133) has the molecular formula C19H34F3N and a molecular weight of 333.48 g/mol. Its IUPAC name is ethane;(Z,2E)-2-ethylidene-6,6,6-trifluoro-N-hexyl-N-prop-2-enylhex-3-en-1-amine.

Molecular Properties

Compound Nameethane;(Z,2E)-2-ethylidene-6,6,6-trifluoro-N-hexyl-N-prop-2-enylhex-3-en-1-amine
PubChem CID142550133
Molecular FormulaC19H34F3N
Molecular Weight333.48 g/mol
Exact Mass333.26
IUPAC Nameethane;(Z,2E)-2-ethylidene-6,6,6-trifluoro-N-hexyl-N-prop-2-enylhex-3-en-1-amine
SMILESC=CCN(CCCCCC)CC(/C=C\CC(F)(F)F)=C/C.CC
InChIInChI=1S/C17H28F3N.C2H6/c1-4-7-8-9-14-21(13-5-2)15-16(6-3)11-10-12-17(18,19)20;1-2/h5-6,10-11H,2,4,7-9,12-15H2,1,3H3;1-2H3/b11-10-,16-6+;
InChIKeyFNCLRKDTEHOKQN-LVPRRMLESA-N
XLogP6.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z,2E)-2-ethylidene-6,6,6-trifluoro-N-hexyl-N-prop-2-enylhex-3-en-1-amine?
The IUPAC name of ethane;(Z,2E)-2-ethylidene-6,6,6-trifluoro-N-hexyl-N-prop-2-enylhex-3-en-1-amine (CID 142550133) is ethane;(Z,2E)-2-ethylidene-6,6,6-trifluoro-N-hexyl-N-prop-2-enylhex-3-en-1-amine.
What is the SMILES notation for ethane;(Z,2E)-2-ethylidene-6,6,6-trifluoro-N-hexyl-N-prop-2-enylhex-3-en-1-amine?
The canonical SMILES for ethane;(Z,2E)-2-ethylidene-6,6,6-trifluoro-N-hexyl-N-prop-2-enylhex-3-en-1-amine is C=CCN(CCCCCC)CC(/C=C\CC(F)(F)F)=C/C.CC.
What is the InChIKey of ethane;(Z,2E)-2-ethylidene-6,6,6-trifluoro-N-hexyl-N-prop-2-enylhex-3-en-1-amine?
The InChIKey is FNCLRKDTEHOKQN-LVPRRMLESA-N. The full InChI is InChI=1S/C17H28F3N.C2H6/c1-4-7-8-9-14-21(13-5-2)15-16(6-3)11-10-12-17(18,19)20;1-2/h5-6,10-11H,2,4,7-9,12-15H2,1,3H3;1-2H3/b11-10-,16-6+;.
What are the key properties of ethane;(Z,2E)-2-ethylidene-6,6,6-trifluoro-N-hexyl-N-prop-2-enylhex-3-en-1-amine?
ethane;(Z,2E)-2-ethylidene-6,6,6-trifluoro-N-hexyl-N-prop-2-enylhex-3-en-1-amine has a molecular weight of 333.48 g/mol, XLogP of 6.54, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,2E)-2-ethylidene-6,6,6-trifluoro-N-hexyl-N-prop-2-enylhex-3-en-1-amine is sourced from PubChem (CID 142550133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).