N,1,1,1,2,3-hexafluoro-N-methylbut-3-en-2-amine

C5H5F6N — CID 146426213

IUPACN,1,1,1,2,3-hexafluoro-N-methylbut-3-en-2-amine
SMILESC=C(F)C(F)(N(C)F)C(F)(F)F
InChIInChI=1S/C5H5F6N/c1-3(6)4(7,12(2)11)5(8,9)10/h1H2,2H3
InChIKeyRPDGVVBKYCNVQD-UHFFFAOYSA-N
MW193.09 g/mol
LogP2.51
Rot. Bonds2

About N,1,1,1,2,3-hexafluoro-N-methylbut-3-en-2-amine

N,1,1,1,2,3-hexafluoro-N-methylbut-3-en-2-amine (PubChem CID 146426213) has the molecular formula C5H5F6N and a molecular weight of 193.09 g/mol. Its IUPAC name is N,1,1,1,2,3-hexafluoro-N-methylbut-3-en-2-amine.

Molecular Properties

Compound NameN,1,1,1,2,3-hexafluoro-N-methylbut-3-en-2-amine
PubChem CID146426213
Molecular FormulaC5H5F6N
Molecular Weight193.09 g/mol
Exact Mass193.03
IUPAC NameN,1,1,1,2,3-hexafluoro-N-methylbut-3-en-2-amine
SMILESC=C(F)C(F)(N(C)F)C(F)(F)F
InChIInChI=1S/C5H5F6N/c1-3(6)4(7,12(2)11)5(8,9)10/h1H2,2H3
InChIKeyRPDGVVBKYCNVQD-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.09
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1,1,1,2,3-hexafluoro-N-methylbut-3-en-2-amine?
The IUPAC name of N,1,1,1,2,3-hexafluoro-N-methylbut-3-en-2-amine (CID 146426213) is N,1,1,1,2,3-hexafluoro-N-methylbut-3-en-2-amine.
What is the SMILES notation for N,1,1,1,2,3-hexafluoro-N-methylbut-3-en-2-amine?
The canonical SMILES for N,1,1,1,2,3-hexafluoro-N-methylbut-3-en-2-amine is C=C(F)C(F)(N(C)F)C(F)(F)F.
What is the InChIKey of N,1,1,1,2,3-hexafluoro-N-methylbut-3-en-2-amine?
The InChIKey is RPDGVVBKYCNVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F6N/c1-3(6)4(7,12(2)11)5(8,9)10/h1H2,2H3.
What are the key properties of N,1,1,1,2,3-hexafluoro-N-methylbut-3-en-2-amine?
N,1,1,1,2,3-hexafluoro-N-methylbut-3-en-2-amine has a molecular weight of 193.09 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1,1,2,3-hexafluoro-N-methylbut-3-en-2-amine is sourced from PubChem (CID 146426213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).