N,N-bis(trifluoromethyl)ethenamine

C4H3F6N — CID 23234710

IUPACN,N-bis(trifluoromethyl)ethenamine
SMILESC=CN(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F6N/c1-2-11(3(5,6)7)4(8,9)10/h2H,1H2
InChIKeyVDBDUTZEXSZSRH-UHFFFAOYSA-N
MW179.06 g/mol
LogP2.47
Rot. Bonds1

About N,N-bis(trifluoromethyl)ethenamine

N,N-bis(trifluoromethyl)ethenamine (PubChem CID 23234710) has the molecular formula C4H3F6N and a molecular weight of 179.06 g/mol. Its IUPAC name is N,N-bis(trifluoromethyl)ethenamine.

Molecular Properties

Compound NameN,N-bis(trifluoromethyl)ethenamine
PubChem CID23234710
Molecular FormulaC4H3F6N
Molecular Weight179.06 g/mol
Exact Mass179.02
IUPAC NameN,N-bis(trifluoromethyl)ethenamine
SMILESC=CN(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F6N/c1-2-11(3(5,6)7)4(8,9)10/h2H,1H2
InChIKeyVDBDUTZEXSZSRH-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 52.47
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 N,N-bis(trifluoromethyl)ethenamine?
The IUPAC name of N,N-bis(trifluoromethyl)ethenamine (CID 23234710) is N,N-bis(trifluoromethyl)ethenamine.
What is the SMILES notation for N,N-bis(trifluoromethyl)ethenamine?
The canonical SMILES for N,N-bis(trifluoromethyl)ethenamine is C=CN(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,N-bis(trifluoromethyl)ethenamine?
The InChIKey is VDBDUTZEXSZSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F6N/c1-2-11(3(5,6)7)4(8,9)10/h2H,1H2.
What are the key properties of N,N-bis(trifluoromethyl)ethenamine?
N,N-bis(trifluoromethyl)ethenamine has a molecular weight of 179.06 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(trifluoromethyl)ethenamine is sourced from PubChem (CID 23234710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).