(E)-1,1,1-trifluoro-N,N-dimethyldec-2-en-4-amine

C12H22F3N — CID 11806670

IUPAC(E)-1,1,1-trifluoro-N,N-dimethyldec-2-en-4-amine
SMILESCCCCCCC(/C=C/C(F)(F)F)N(C)C
InChIInChI=1S/C12H22F3N/c1-4-5-6-7-8-11(16(2)3)9-10-12(13,14)15/h9-11H,4-8H2,1-3H3/b10-9+
InChIKeyFPWVWPARBHFQGH-MDZDMXLPSA-N
MW237.31 g/mol
LogP4.01
Rot. Bonds7

About (E)-1,1,1-trifluoro-N,N-dimethyldec-2-en-4-amine

(E)-1,1,1-trifluoro-N,N-dimethyldec-2-en-4-amine (PubChem CID 11806670) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-N,N-dimethyldec-2-en-4-amine.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-N,N-dimethyldec-2-en-4-amine
PubChem CID11806670
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name(E)-1,1,1-trifluoro-N,N-dimethyldec-2-en-4-amine
SMILESCCCCCCC(/C=C/C(F)(F)F)N(C)C
InChIInChI=1S/C12H22F3N/c1-4-5-6-7-8-11(16(2)3)9-10-12(13,14)15/h9-11H,4-8H2,1-3H3/b10-9+
InChIKeyFPWVWPARBHFQGH-MDZDMXLPSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 54.01
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-N,N-dimethyldec-2-en-4-amine?
The IUPAC name of (E)-1,1,1-trifluoro-N,N-dimethyldec-2-en-4-amine (CID 11806670) is (E)-1,1,1-trifluoro-N,N-dimethyldec-2-en-4-amine.
What is the SMILES notation for (E)-1,1,1-trifluoro-N,N-dimethyldec-2-en-4-amine?
The canonical SMILES for (E)-1,1,1-trifluoro-N,N-dimethyldec-2-en-4-amine is CCCCCCC(/C=C/C(F)(F)F)N(C)C.
What is the InChIKey of (E)-1,1,1-trifluoro-N,N-dimethyldec-2-en-4-amine?
The InChIKey is FPWVWPARBHFQGH-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H22F3N/c1-4-5-6-7-8-11(16(2)3)9-10-12(13,14)15/h9-11H,4-8H2,1-3H3/b10-9+.
What are the key properties of (E)-1,1,1-trifluoro-N,N-dimethyldec-2-en-4-amine?
(E)-1,1,1-trifluoro-N,N-dimethyldec-2-en-4-amine has a molecular weight of 237.31 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-N,N-dimethyldec-2-en-4-amine is sourced from PubChem (CID 11806670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).