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

C8F17N — CID 147643073

IUPAC1,1,1,4,4,5,5,5-octafluoro-N,N,2-tris(trifluoromethyl)pent-2-en-3-amine
SMILESFC(F)(F)C(=C(N(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8F17N/c9-3(10,6(17,18)19)2(1(4(11,12)13)5(14,15)16)26(7(20,21)22)8(23,24)25
InChIKeyGHZYKMIZRPXAGD-UHFFFAOYSA-N
MW433.06 g/mol
LogP5.90
Rot. Bonds2

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

1,1,1,4,4,5,5,5-octafluoro-N,N,2-tris(trifluoromethyl)pent-2-en-3-amine (PubChem CID 147643073) has the molecular formula C8F17N and a molecular weight of 433.06 g/mol. Its IUPAC name is 1,1,1,4,4,5,5,5-octafluoro-N,N,2-tris(trifluoromethyl)pent-2-en-3-amine.

Molecular Properties

Compound Name1,1,1,4,4,5,5,5-octafluoro-N,N,2-tris(trifluoromethyl)pent-2-en-3-amine
PubChem CID147643073
Molecular FormulaC8F17N
Molecular Weight433.06 g/mol
Exact Mass432.98
IUPAC Name1,1,1,4,4,5,5,5-octafluoro-N,N,2-tris(trifluoromethyl)pent-2-en-3-amine
SMILESFC(F)(F)C(=C(N(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8F17N/c9-3(10,6(17,18)19)2(1(4(11,12)13)5(14,15)16)26(7(20,21)22)8(23,24)25
InChIKeyGHZYKMIZRPXAGD-UHFFFAOYSA-N
XLogP5.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.06
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'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,2-tris(trifluoromethyl)pent-2-en-3-amine?
The IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-N,N,2-tris(trifluoromethyl)pent-2-en-3-amine (CID 147643073) is 1,1,1,4,4,5,5,5-octafluoro-N,N,2-tris(trifluoromethyl)pent-2-en-3-amine.
What is the SMILES notation for 1,1,1,4,4,5,5,5-octafluoro-N,N,2-tris(trifluoromethyl)pent-2-en-3-amine?
The canonical SMILES for 1,1,1,4,4,5,5,5-octafluoro-N,N,2-tris(trifluoromethyl)pent-2-en-3-amine is FC(F)(F)C(=C(N(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,5,5,5-octafluoro-N,N,2-tris(trifluoromethyl)pent-2-en-3-amine?
The InChIKey is GHZYKMIZRPXAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F17N/c9-3(10,6(17,18)19)2(1(4(11,12)13)5(14,15)16)26(7(20,21)22)8(23,24)25.
What are the key properties of 1,1,1,4,4,5,5,5-octafluoro-N,N,2-tris(trifluoromethyl)pent-2-en-3-amine?
1,1,1,4,4,5,5,5-octafluoro-N,N,2-tris(trifluoromethyl)pent-2-en-3-amine has a molecular weight of 433.06 g/mol, XLogP of 5.90, 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,2-tris(trifluoromethyl)pent-2-en-3-amine is sourced from PubChem (CID 147643073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).