2-methyl-6-(trifluoromethyl)oct-1-en-3-amine

C10H18F3N — CID 89154096

IUPAC2-methyl-6-(trifluoromethyl)oct-1-en-3-amine
SMILESC=C(C)C(N)CCC(CC)C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-4-8(10(11,12)13)5-6-9(14)7(2)3/h8-9H,2,4-6,14H2,1,3H3
InChIKeyCSDYYLYLCGMZEA-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.26
Rot. Bonds5

About 2-methyl-6-(trifluoromethyl)oct-1-en-3-amine

2-methyl-6-(trifluoromethyl)oct-1-en-3-amine (PubChem CID 89154096) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)oct-1-en-3-amine.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)oct-1-en-3-amine
PubChem CID89154096
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name2-methyl-6-(trifluoromethyl)oct-1-en-3-amine
SMILESC=C(C)C(N)CCC(CC)C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-4-8(10(11,12)13)5-6-9(14)7(2)3/h8-9H,2,4-6,14H2,1,3H3
InChIKeyCSDYYLYLCGMZEA-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.26
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 2-methyl-6-(trifluoromethyl)oct-1-en-3-amine?
The IUPAC name of 2-methyl-6-(trifluoromethyl)oct-1-en-3-amine (CID 89154096) is 2-methyl-6-(trifluoromethyl)oct-1-en-3-amine.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)oct-1-en-3-amine?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)oct-1-en-3-amine is C=C(C)C(N)CCC(CC)C(F)(F)F.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)oct-1-en-3-amine?
The InChIKey is CSDYYLYLCGMZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-4-8(10(11,12)13)5-6-9(14)7(2)3/h8-9H,2,4-6,14H2,1,3H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)oct-1-en-3-amine?
2-methyl-6-(trifluoromethyl)oct-1-en-3-amine has a molecular weight of 209.25 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)oct-1-en-3-amine is sourced from PubChem (CID 89154096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).