2,3-difluoro-N,N-bis(trifluoromethyl)but-3-en-2-amine

C6H5F8N — CID 146426185

IUPAC2,3-difluoro-N,N-bis(trifluoromethyl)but-3-en-2-amine
SMILESC=C(F)C(C)(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F8N/c1-3(7)4(2,8)15(5(9,10)11)6(12,13)14/h1H2,2H3
InChIKeyDZAXLNVGAXVADJ-UHFFFAOYSA-N
MW243.10 g/mol
LogP3.50
Rot. Bonds2

About 2,3-difluoro-N,N-bis(trifluoromethyl)but-3-en-2-amine

2,3-difluoro-N,N-bis(trifluoromethyl)but-3-en-2-amine (PubChem CID 146426185) has the molecular formula C6H5F8N and a molecular weight of 243.10 g/mol. Its IUPAC name is 2,3-difluoro-N,N-bis(trifluoromethyl)but-3-en-2-amine.

Molecular Properties

Compound Name2,3-difluoro-N,N-bis(trifluoromethyl)but-3-en-2-amine
PubChem CID146426185
Molecular FormulaC6H5F8N
Molecular Weight243.10 g/mol
Exact Mass243.03
IUPAC Name2,3-difluoro-N,N-bis(trifluoromethyl)but-3-en-2-amine
SMILESC=C(F)C(C)(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F8N/c1-3(7)4(2,8)15(5(9,10)11)6(12,13)14/h1H2,2H3
InChIKeyDZAXLNVGAXVADJ-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.50
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 2,3-difluoro-N,N-bis(trifluoromethyl)but-3-en-2-amine?
The IUPAC name of 2,3-difluoro-N,N-bis(trifluoromethyl)but-3-en-2-amine (CID 146426185) is 2,3-difluoro-N,N-bis(trifluoromethyl)but-3-en-2-amine.
What is the SMILES notation for 2,3-difluoro-N,N-bis(trifluoromethyl)but-3-en-2-amine?
The canonical SMILES for 2,3-difluoro-N,N-bis(trifluoromethyl)but-3-en-2-amine is C=C(F)C(C)(F)N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3-difluoro-N,N-bis(trifluoromethyl)but-3-en-2-amine?
The InChIKey is DZAXLNVGAXVADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F8N/c1-3(7)4(2,8)15(5(9,10)11)6(12,13)14/h1H2,2H3.
What are the key properties of 2,3-difluoro-N,N-bis(trifluoromethyl)but-3-en-2-amine?
2,3-difluoro-N,N-bis(trifluoromethyl)but-3-en-2-amine has a molecular weight of 243.10 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N,N-bis(trifluoromethyl)but-3-en-2-amine is sourced from PubChem (CID 146426185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).