(E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine

C9H16F3N — CID 162590268

IUPAC(E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine
SMILESCC(C)(C)C/C=C(\CN)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-8(2,3)5-4-7(6-13)9(10,11)12/h4H,5-6,13H2,1-3H3/b7-4+
InChIKeyZIFBWIUSMRELTE-QPJJXVBHSA-N
MW195.23 g/mol
LogP2.87
Rot. Bonds2

About (E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine

(E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine (PubChem CID 162590268) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is (E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine.

Molecular Properties

Compound Name(E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine
PubChem CID162590268
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name(E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine
SMILESCC(C)(C)C/C=C(\CN)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-8(2,3)5-4-7(6-13)9(10,11)12/h4H,5-6,13H2,1-3H3/b7-4+
InChIKeyZIFBWIUSMRELTE-QPJJXVBHSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.87
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)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine?
The IUPAC name of (E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine (CID 162590268) is (E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine.
What is the SMILES notation for (E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine?
The canonical SMILES for (E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine is CC(C)(C)C/C=C(\CN)C(F)(F)F.
What is the InChIKey of (E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine?
The InChIKey is ZIFBWIUSMRELTE-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H16F3N/c1-8(2,3)5-4-7(6-13)9(10,11)12/h4H,5-6,13H2,1-3H3/b7-4+.
What are the key properties of (E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine?
(E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine is sourced from PubChem (CID 162590268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).