(E)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine

C10H18F3N — CID 170260356

IUPAC(E)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine
SMILESCC/C=C(\C)CCN(C)CC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-4-5-9(2)6-7-14(3)8-10(11,12)13/h5H,4,6-8H2,1-3H3/b9-5+
InChIKeyIZJGFJFHWSITHG-WEVVVXLNSA-N
MW209.25 g/mol
LogP3.23
Rot. Bonds5

About (E)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine

(E)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine (PubChem CID 170260356) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is (E)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine.

Molecular Properties

Compound Name(E)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine
PubChem CID170260356
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name(E)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine
SMILESCC/C=C(\C)CCN(C)CC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-4-5-9(2)6-7-14(3)8-10(11,12)13/h5H,4,6-8H2,1-3H3/b9-5+
InChIKeyIZJGFJFHWSITHG-WEVVVXLNSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
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)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine?
The IUPAC name of (E)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine (CID 170260356) is (E)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine.
What is the SMILES notation for (E)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine?
The canonical SMILES for (E)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine is CC/C=C(\C)CCN(C)CC(F)(F)F.
What is the InChIKey of (E)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine?
The InChIKey is IZJGFJFHWSITHG-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H18F3N/c1-4-5-9(2)6-7-14(3)8-10(11,12)13/h5H,4,6-8H2,1-3H3/b9-5+.
What are the key properties of (E)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine?
(E)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)hex-3-en-1-amine is sourced from PubChem (CID 170260356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).