(E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine

C18H34F3N — CID 143703538

IUPAC(E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine
SMILESCCC(CC)C/C=C(\C)CC(CC)CCC(N)CC(F)(F)F
InChIInChI=1S/C18H34F3N/c1-5-15(6-2)9-8-14(4)12-16(7-3)10-11-17(22)13-18(19,20)21/h8,15-17H,5-7,9-13,22H2,1-4H3/b14-8+
InChIKeyRFTUBSMEBVEOME-RIYZIHGNSA-N
MW321.47 g/mol
LogP6.24
Rot. Bonds11

About (E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine

(E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine (PubChem CID 143703538) has the molecular formula C18H34F3N and a molecular weight of 321.47 g/mol. Its IUPAC name is (E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine.

Molecular Properties

Compound Name(E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine
PubChem CID143703538
Molecular FormulaC18H34F3N
Molecular Weight321.47 g/mol
Exact Mass321.26
IUPAC Name(E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine
SMILESCCC(CC)C/C=C(\C)CC(CC)CCC(N)CC(F)(F)F
InChIInChI=1S/C18H34F3N/c1-5-15(6-2)9-8-14(4)12-16(7-3)10-11-17(22)13-18(19,20)21/h8,15-17H,5-7,9-13,22H2,1-4H3/b14-8+
InChIKeyRFTUBSMEBVEOME-RIYZIHGNSA-N
XLogP6.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.47
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine?
The IUPAC name of (E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine (CID 143703538) is (E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine.
What is the SMILES notation for (E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine?
The canonical SMILES for (E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine is CCC(CC)C/C=C(\C)CC(CC)CCC(N)CC(F)(F)F.
What is the InChIKey of (E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine?
The InChIKey is RFTUBSMEBVEOME-RIYZIHGNSA-N. The full InChI is InChI=1S/C18H34F3N/c1-5-15(6-2)9-8-14(4)12-16(7-3)10-11-17(22)13-18(19,20)21/h8,15-17H,5-7,9-13,22H2,1-4H3/b14-8+.
What are the key properties of (E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine?
(E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine has a molecular weight of 321.47 g/mol, XLogP of 6.24, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,11-diethyl-1,1,1-trifluoro-8-methyltridec-8-en-3-amine is sourced from PubChem (CID 143703538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).