2,4,4,5,5,5-hexafluoro-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine

C7H6F9N — CID 160982573

IUPAC2,4,4,5,5,5-hexafluoro-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine
SMILESCC(F)=C(N(C)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F9N/c1-3(8)4(17(2)7(14,15)16)5(9,10)6(11,12)13/h1-2H3
InChIKeyVDKNLFGVAUAUIG-UHFFFAOYSA-N
MW275.11 g/mol
LogP3.84
Rot. Bonds2

About 2,4,4,5,5,5-hexafluoro-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine

2,4,4,5,5,5-hexafluoro-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine (PubChem CID 160982573) has the molecular formula C7H6F9N and a molecular weight of 275.11 g/mol. Its IUPAC name is 2,4,4,5,5,5-hexafluoro-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine.

Molecular Properties

Compound Name2,4,4,5,5,5-hexafluoro-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine
PubChem CID160982573
Molecular FormulaC7H6F9N
Molecular Weight275.11 g/mol
Exact Mass275.04
IUPAC Name2,4,4,5,5,5-hexafluoro-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine
SMILESCC(F)=C(N(C)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F9N/c1-3(8)4(17(2)7(14,15)16)5(9,10)6(11,12)13/h1-2H3
InChIKeyVDKNLFGVAUAUIG-UHFFFAOYSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 53.84
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
4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine
CID 160565376
4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
CID 160565377
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-methyl-N-(trifluoromethyl)pent-2-en-3-amine?
The IUPAC name of 2,4,4,5,5,5-hexafluoro-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine (CID 160982573) is 2,4,4,5,5,5-hexafluoro-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine.
What is the SMILES notation for 2,4,4,5,5,5-hexafluoro-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine?
The canonical SMILES for 2,4,4,5,5,5-hexafluoro-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine is CC(F)=C(N(C)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,4,4,5,5,5-hexafluoro-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine?
The InChIKey is VDKNLFGVAUAUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F9N/c1-3(8)4(17(2)7(14,15)16)5(9,10)6(11,12)13/h1-2H3.
What are the key properties of 2,4,4,5,5,5-hexafluoro-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine?
2,4,4,5,5,5-hexafluoro-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine has a molecular weight of 275.11 g/mol, XLogP of 3.84, 2 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-methyl-N-(trifluoromethyl)pent-2-en-3-amine is sourced from PubChem (CID 160982573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).