1,1,1,2,3,4,4-heptafluoro-N-methyl-N-(trifluoromethyl)but-3-en-2-amine

C6H3F10N — CID 174357900

IUPAC1,1,1,2,3,4,4-heptafluoro-N-methyl-N-(trifluoromethyl)but-3-en-2-amine
SMILESCN(C(F)(F)F)C(F)(C(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C6H3F10N/c1-17(6(14,15)16)4(10,5(11,12)13)2(7)3(8)9/h1H3
InChIKeyFPBKQJDYZUQELZ-UHFFFAOYSA-N
MW279.08 g/mol
LogP3.74
Rot. Bonds2

About 1,1,1,2,3,4,4-heptafluoro-N-methyl-N-(trifluoromethyl)but-3-en-2-amine

1,1,1,2,3,4,4-heptafluoro-N-methyl-N-(trifluoromethyl)but-3-en-2-amine (PubChem CID 174357900) has the molecular formula C6H3F10N and a molecular weight of 279.08 g/mol. Its IUPAC name is 1,1,1,2,3,4,4-heptafluoro-N-methyl-N-(trifluoromethyl)but-3-en-2-amine.

Molecular Properties

Compound Name1,1,1,2,3,4,4-heptafluoro-N-methyl-N-(trifluoromethyl)but-3-en-2-amine
PubChem CID174357900
Molecular FormulaC6H3F10N
Molecular Weight279.08 g/mol
Exact Mass279.01
IUPAC Name1,1,1,2,3,4,4-heptafluoro-N-methyl-N-(trifluoromethyl)but-3-en-2-amine
SMILESCN(C(F)(F)F)C(F)(C(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C6H3F10N/c1-17(6(14,15)16)4(10,5(11,12)13)2(7)3(8)9/h1H3
InChIKeyFPBKQJDYZUQELZ-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,4-heptafluoro-N-methyl-N-(trifluoromethyl)but-3-en-2-amine?
The IUPAC name of 1,1,1,2,3,4,4-heptafluoro-N-methyl-N-(trifluoromethyl)but-3-en-2-amine (CID 174357900) is 1,1,1,2,3,4,4-heptafluoro-N-methyl-N-(trifluoromethyl)but-3-en-2-amine.
What is the SMILES notation for 1,1,1,2,3,4,4-heptafluoro-N-methyl-N-(trifluoromethyl)but-3-en-2-amine?
The canonical SMILES for 1,1,1,2,3,4,4-heptafluoro-N-methyl-N-(trifluoromethyl)but-3-en-2-amine is CN(C(F)(F)F)C(F)(C(F)=C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,4-heptafluoro-N-methyl-N-(trifluoromethyl)but-3-en-2-amine?
The InChIKey is FPBKQJDYZUQELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F10N/c1-17(6(14,15)16)4(10,5(11,12)13)2(7)3(8)9/h1H3.
What are the key properties of 1,1,1,2,3,4,4-heptafluoro-N-methyl-N-(trifluoromethyl)but-3-en-2-amine?
1,1,1,2,3,4,4-heptafluoro-N-methyl-N-(trifluoromethyl)but-3-en-2-amine has a molecular weight of 279.08 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,4-heptafluoro-N-methyl-N-(trifluoromethyl)but-3-en-2-amine is sourced from PubChem (CID 174357900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).