6,6,6-trifluoro-2-methylhex-1-en-3-amine

C7H12F3N — CID 79953583

IUPAC6,6,6-trifluoro-2-methylhex-1-en-3-amine
SMILESC=C(C)C(N)CCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-5(2)6(11)3-4-7(8,9)10/h6H,1,3-4,11H2,2H3
InChIKeyBEQCYKYLEIHESJ-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.23
Rot. Bonds3

About 6,6,6-trifluoro-2-methylhex-1-en-3-amine

6,6,6-trifluoro-2-methylhex-1-en-3-amine (PubChem CID 79953583) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methylhex-1-en-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methylhex-1-en-3-amine
PubChem CID79953583
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name6,6,6-trifluoro-2-methylhex-1-en-3-amine
SMILESC=C(C)C(N)CCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-5(2)6(11)3-4-7(8,9)10/h6H,1,3-4,11H2,2H3
InChIKeyBEQCYKYLEIHESJ-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.23
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 6,6,6-trifluoro-2-methylhex-1-en-3-amine?
The IUPAC name of 6,6,6-trifluoro-2-methylhex-1-en-3-amine (CID 79953583) is 6,6,6-trifluoro-2-methylhex-1-en-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-methylhex-1-en-3-amine?
The canonical SMILES for 6,6,6-trifluoro-2-methylhex-1-en-3-amine is C=C(C)C(N)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-methylhex-1-en-3-amine?
The InChIKey is BEQCYKYLEIHESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-5(2)6(11)3-4-7(8,9)10/h6H,1,3-4,11H2,2H3.
What are the key properties of 6,6,6-trifluoro-2-methylhex-1-en-3-amine?
6,6,6-trifluoro-2-methylhex-1-en-3-amine has a molecular weight of 167.17 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methylhex-1-en-3-amine is sourced from PubChem (CID 79953583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).