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

C8H9F8N — CID 160565376

IUPAC4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine
SMILESCC(C)=C(N(C)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F8N/c1-4(2)5(17(3)8(14,15)16)6(9,10)7(11,12)13/h1-3H3
InChIKeyUJJOPIUKRRLLFO-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.93
Rot. Bonds2

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

4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine (PubChem CID 160565376) has the molecular formula C8H9F8N and a molecular weight of 271.15 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine
PubChem CID160565376
Molecular FormulaC8H9F8N
Molecular Weight271.15 g/mol
Exact Mass271.06
IUPAC Name4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine
SMILESCC(C)=C(N(C)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F8N/c1-4(2)5(17(3)8(14,15)16)6(9,10)7(11,12)13/h1-3H3
InChIKeyUJJOPIUKRRLLFO-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.93
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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Related Compounds

N,N-Dimethyl-2-(trifluoromethyl)-1,1,1,4,4,5,5,5-octafluoro-2-pentene-3-amine
CID 12751230
1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine
CID 19761935
N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 19761981
N,N-diethyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 132234556
1-[1,1,1-Trifluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine
CID 132234557
acetylene;(Z)-5,5,5-trifluoro-N,N,3-trimethylpent-2-en-2-amine
CID 144281621
(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
(E)-N-(fluoromethyl)-N,3-dimethylpent-2-en-2-amine
CID 174345955
(Z)-5,5,5-trifluoro-N,N,3-trimethylpent-2-en-2-amine
CID 144281622
4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
CID 160565377
1-(4,4,5,5,5-Pentafluoro-2-methylpent-2-en-3-yl)pyrrolidine
CID 160565379
4,4,5,5,5-pentafluoro-2-methyl-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
CID 160565381

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine?
The IUPAC name of 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine (CID 160565376) is 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine.
What is the SMILES notation for 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine?
The canonical SMILES for 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine is CC(C)=C(N(C)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine?
The InChIKey is UJJOPIUKRRLLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F8N/c1-4(2)5(17(3)8(14,15)16)6(9,10)7(11,12)13/h1-3H3.
What are the key properties of 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine?
4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine has a molecular weight of 271.15 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine is sourced from PubChem (CID 160565376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).