(E)-6,6,6-trifluoro-2,5-dimethylhex-2-en-1-amine

C8H14F3N — CID 89153804

IUPAC(E)-6,6,6-trifluoro-2,5-dimethylhex-2-en-1-amine
SMILESC/C(=C\CC(C)C(F)(F)F)CN
InChIInChI=1S/C8H14F3N/c1-6(5-12)3-4-7(2)8(9,10)11/h3,7H,4-5,12H2,1-2H3/b6-3+
InChIKeyVRNRIXSKUXKSDB-ZZXKWVIFSA-N
MW181.20 g/mol
LogP2.48
Rot. Bonds3

About (E)-6,6,6-trifluoro-2,5-dimethylhex-2-en-1-amine

(E)-6,6,6-trifluoro-2,5-dimethylhex-2-en-1-amine (PubChem CID 89153804) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is (E)-6,6,6-trifluoro-2,5-dimethylhex-2-en-1-amine.

Molecular Properties

Compound Name(E)-6,6,6-trifluoro-2,5-dimethylhex-2-en-1-amine
PubChem CID89153804
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name(E)-6,6,6-trifluoro-2,5-dimethylhex-2-en-1-amine
SMILESC/C(=C\CC(C)C(F)(F)F)CN
InChIInChI=1S/C8H14F3N/c1-6(5-12)3-4-7(2)8(9,10)11/h3,7H,4-5,12H2,1-2H3/b6-3+
InChIKeyVRNRIXSKUXKSDB-ZZXKWVIFSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.48
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)-6,6,6-trifluoro-2,5-dimethylhex-2-en-1-amine?
The IUPAC name of (E)-6,6,6-trifluoro-2,5-dimethylhex-2-en-1-amine (CID 89153804) is (E)-6,6,6-trifluoro-2,5-dimethylhex-2-en-1-amine.
What is the SMILES notation for (E)-6,6,6-trifluoro-2,5-dimethylhex-2-en-1-amine?
The canonical SMILES for (E)-6,6,6-trifluoro-2,5-dimethylhex-2-en-1-amine is C/C(=C\CC(C)C(F)(F)F)CN.
What is the InChIKey of (E)-6,6,6-trifluoro-2,5-dimethylhex-2-en-1-amine?
The InChIKey is VRNRIXSKUXKSDB-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H14F3N/c1-6(5-12)3-4-7(2)8(9,10)11/h3,7H,4-5,12H2,1-2H3/b6-3+.
What are the key properties of (E)-6,6,6-trifluoro-2,5-dimethylhex-2-en-1-amine?
(E)-6,6,6-trifluoro-2,5-dimethylhex-2-en-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6,6-trifluoro-2,5-dimethylhex-2-en-1-amine is sourced from PubChem (CID 89153804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).