(Z)-2-fluoro-N,N-bis(trifluoromethyl)ethenamine

C4H2F7N — CID 23234697

IUPAC(Z)-2-fluoro-N,N-bis(trifluoromethyl)ethenamine
SMILESF/C=C\N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H2F7N/c5-1-2-12(3(6,7)8)4(9,10)11/h1-2H/b2-1-
InChIKeyYCPWXYQPDKNNHJ-UPHRSURJSA-N
MW197.05 g/mol
LogP2.77
Rot. Bonds1

About (Z)-2-fluoro-N,N-bis(trifluoromethyl)ethenamine

(Z)-2-fluoro-N,N-bis(trifluoromethyl)ethenamine (PubChem CID 23234697) has the molecular formula C4H2F7N and a molecular weight of 197.05 g/mol. Its IUPAC name is (Z)-2-fluoro-N,N-bis(trifluoromethyl)ethenamine.

Molecular Properties

Compound Name(Z)-2-fluoro-N,N-bis(trifluoromethyl)ethenamine
PubChem CID23234697
Molecular FormulaC4H2F7N
Molecular Weight197.05 g/mol
Exact Mass197.01
IUPAC Name(Z)-2-fluoro-N,N-bis(trifluoromethyl)ethenamine
SMILESF/C=C\N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H2F7N/c5-1-2-12(3(6,7)8)4(9,10)11/h1-2H/b2-1-
InChIKeyYCPWXYQPDKNNHJ-UPHRSURJSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.05
LogP ≤ 52.77
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 (Z)-2-fluoro-N,N-bis(trifluoromethyl)ethenamine?
The IUPAC name of (Z)-2-fluoro-N,N-bis(trifluoromethyl)ethenamine (CID 23234697) is (Z)-2-fluoro-N,N-bis(trifluoromethyl)ethenamine.
What is the SMILES notation for (Z)-2-fluoro-N,N-bis(trifluoromethyl)ethenamine?
The canonical SMILES for (Z)-2-fluoro-N,N-bis(trifluoromethyl)ethenamine is F/C=C\N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-2-fluoro-N,N-bis(trifluoromethyl)ethenamine?
The InChIKey is YCPWXYQPDKNNHJ-UPHRSURJSA-N. The full InChI is InChI=1S/C4H2F7N/c5-1-2-12(3(6,7)8)4(9,10)11/h1-2H/b2-1-.
What are the key properties of (Z)-2-fluoro-N,N-bis(trifluoromethyl)ethenamine?
(Z)-2-fluoro-N,N-bis(trifluoromethyl)ethenamine has a molecular weight of 197.05 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-N,N-bis(trifluoromethyl)ethenamine is sourced from PubChem (CID 23234697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).