1,1,1,4,4,5,5,5-octafluoro-N,N-dimethyl-2-(trifluoromethyl)pent-2-en-3-amine

C8H6F11N — CID 12751230

IUPAC1,1,1,4,4,5,5,5-octafluoro-N,N-dimethyl-2-(trifluoromethyl)pent-2-en-3-amine
SMILESCN(C)C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F11N/c1-20(2)4(5(9,10)8(17,18)19)3(6(11,12)13)7(14,15)16/h1-2H3
InChIKeyGSXQHWAJHLHHLA-UHFFFAOYSA-N
MW325.12 g/mol
LogP4.12
Rot. Bonds2

About 1,1,1,4,4,5,5,5-octafluoro-N,N-dimethyl-2-(trifluoromethyl)pent-2-en-3-amine

1,1,1,4,4,5,5,5-octafluoro-N,N-dimethyl-2-(trifluoromethyl)pent-2-en-3-amine (PubChem CID 12751230) has the molecular formula C8H6F11N and a molecular weight of 325.12 g/mol. Its IUPAC name is 1,1,1,4,4,5,5,5-octafluoro-N,N-dimethyl-2-(trifluoromethyl)pent-2-en-3-amine.

Molecular Properties

Compound Name1,1,1,4,4,5,5,5-octafluoro-N,N-dimethyl-2-(trifluoromethyl)pent-2-en-3-amine
PubChem CID12751230
Molecular FormulaC8H6F11N
Molecular Weight325.12 g/mol
Exact Mass325.03
IUPAC Name1,1,1,4,4,5,5,5-octafluoro-N,N-dimethyl-2-(trifluoromethyl)pent-2-en-3-amine
SMILESCN(C)C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F11N/c1-20(2)4(5(9,10)8(17,18)19)3(6(11,12)13)7(14,15)16/h1-2H3
InChIKeyGSXQHWAJHLHHLA-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-N,N-dimethyl-2-(trifluoromethyl)pent-2-en-3-amine?
The IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-N,N-dimethyl-2-(trifluoromethyl)pent-2-en-3-amine (CID 12751230) is 1,1,1,4,4,5,5,5-octafluoro-N,N-dimethyl-2-(trifluoromethyl)pent-2-en-3-amine.
What is the SMILES notation for 1,1,1,4,4,5,5,5-octafluoro-N,N-dimethyl-2-(trifluoromethyl)pent-2-en-3-amine?
The canonical SMILES for 1,1,1,4,4,5,5,5-octafluoro-N,N-dimethyl-2-(trifluoromethyl)pent-2-en-3-amine is CN(C)C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,5,5,5-octafluoro-N,N-dimethyl-2-(trifluoromethyl)pent-2-en-3-amine?
The InChIKey is GSXQHWAJHLHHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F11N/c1-20(2)4(5(9,10)8(17,18)19)3(6(11,12)13)7(14,15)16/h1-2H3.
What are the key properties of 1,1,1,4,4,5,5,5-octafluoro-N,N-dimethyl-2-(trifluoromethyl)pent-2-en-3-amine?
1,1,1,4,4,5,5,5-octafluoro-N,N-dimethyl-2-(trifluoromethyl)pent-2-en-3-amine has a molecular weight of 325.12 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,5,5,5-octafluoro-N,N-dimethyl-2-(trifluoromethyl)pent-2-en-3-amine is sourced from PubChem (CID 12751230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).