6,6,6-trifluorohex-1-en-3-amine

C6H10F3N — CID 79954606

IUPAC6,6,6-trifluorohex-1-en-3-amine
SMILESC=CC(N)CCC(F)(F)F
InChIInChI=1S/C6H10F3N/c1-2-5(10)3-4-6(7,8)9/h2,5H,1,3-4,10H2
InChIKeyBVFZRTGACRGUTI-UHFFFAOYSA-N
MW153.15 g/mol
LogP1.84
Rot. Bonds3

About 6,6,6-trifluorohex-1-en-3-amine

6,6,6-trifluorohex-1-en-3-amine (PubChem CID 79954606) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is 6,6,6-trifluorohex-1-en-3-amine.

Molecular Properties

Compound Name6,6,6-trifluorohex-1-en-3-amine
PubChem CID79954606
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name6,6,6-trifluorohex-1-en-3-amine
SMILESC=CC(N)CCC(F)(F)F
InChIInChI=1S/C6H10F3N/c1-2-5(10)3-4-6(7,8)9/h2,5H,1,3-4,10H2
InChIKeyBVFZRTGACRGUTI-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 6,6,6-trifluorohex-1-en-3-amine?
The IUPAC name of 6,6,6-trifluorohex-1-en-3-amine (CID 79954606) is 6,6,6-trifluorohex-1-en-3-amine.
What is the SMILES notation for 6,6,6-trifluorohex-1-en-3-amine?
The canonical SMILES for 6,6,6-trifluorohex-1-en-3-amine is C=CC(N)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluorohex-1-en-3-amine?
The InChIKey is BVFZRTGACRGUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N/c1-2-5(10)3-4-6(7,8)9/h2,5H,1,3-4,10H2.
What are the key properties of 6,6,6-trifluorohex-1-en-3-amine?
6,6,6-trifluorohex-1-en-3-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 6,6,6-trifluorohex-1-en-3-amine is sourced from PubChem (CID 79954606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).