2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine

C9H3F16N — CID 160565378

IUPAC2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
SMILESCC(F)=C(N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H3F16N/c1-2(10)3(4(11,12)5(13,14)15)26(8(22,23)6(16,17)18)9(24,25)7(19,20)21/h1H3
InChIKeyWZCUGMBPNXXPJE-UHFFFAOYSA-N
MW429.10 g/mol
LogP6.00
Rot. Bonds4

About 2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine

2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine (PubChem CID 160565378) has the molecular formula C9H3F16N and a molecular weight of 429.10 g/mol. Its IUPAC name is 2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine.

Molecular Properties

Compound Name2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
PubChem CID160565378
Molecular FormulaC9H3F16N
Molecular Weight429.10 g/mol
Exact Mass429.00
IUPAC Name2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
SMILESCC(F)=C(N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H3F16N/c1-2(10)3(4(11,12)5(13,14)15)26(8(22,23)6(16,17)18)9(24,25)7(19,20)21/h1H3
InChIKeyWZCUGMBPNXXPJE-UHFFFAOYSA-N
XLogP6.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.10
LogP ≤ 56.00
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'}

Analyze 2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine with MolForge

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Related Compounds

(Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine
CID 163983716
4,4,5,5,5-pentafluoro-2-methyl-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
CID 160565381
2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)pent-2-en-3-amine
CID 160565383
4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine
CID 160565387
2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
CID 160982574

Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine?
The IUPAC name of 2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine (CID 160565378) is 2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine.
What is the SMILES notation for 2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine?
The canonical SMILES for 2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine is CC(F)=C(N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine?
The InChIKey is WZCUGMBPNXXPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F16N/c1-2(10)3(4(11,12)5(13,14)15)26(8(22,23)6(16,17)18)9(24,25)7(19,20)21/h1H3.
What are the key properties of 2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine?
2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine has a molecular weight of 429.10 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine is sourced from PubChem (CID 160565378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).