1,1,1-trifluorohex-5-en-2-amine

C6H10F3N — CID 20521925

IUPAC1,1,1-trifluorohex-5-en-2-amine
SMILESC=CCCC(N)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-2-3-4-5(10)6(7,8)9/h2,5H,1,3-4,10H2
InChIKeyHZJYMSXOMJSKEG-UHFFFAOYSA-N
MW153.15 g/mol
LogP1.84
Rot. Bonds3

About 1,1,1-trifluorohex-5-en-2-amine

1,1,1-trifluorohex-5-en-2-amine (PubChem CID 20521925) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is 1,1,1-trifluorohex-5-en-2-amine.

Molecular Properties

Compound Name1,1,1-trifluorohex-5-en-2-amine
PubChem CID20521925
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name1,1,1-trifluorohex-5-en-2-amine
SMILESC=CCCC(N)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-2-3-4-5(10)6(7,8)9/h2,5H,1,3-4,10H2
InChIKeyHZJYMSXOMJSKEG-UHFFFAOYSA-N
XLogP1.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.84
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 1,1,1-trifluorohex-5-en-2-amine?
The IUPAC name of 1,1,1-trifluorohex-5-en-2-amine (CID 20521925) is 1,1,1-trifluorohex-5-en-2-amine.
What is the SMILES notation for 1,1,1-trifluorohex-5-en-2-amine?
The canonical SMILES for 1,1,1-trifluorohex-5-en-2-amine is C=CCCC(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluorohex-5-en-2-amine?
The InChIKey is HZJYMSXOMJSKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N/c1-2-3-4-5(10)6(7,8)9/h2,5H,1,3-4,10H2.
What are the key properties of 1,1,1-trifluorohex-5-en-2-amine?
1,1,1-trifluorohex-5-en-2-amine has a molecular weight of 153.15 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorohex-5-en-2-amine is sourced from PubChem (CID 20521925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).