(E)-1,2-difluoro-N-methyl-N-(trifluoromethyl)ethenamine

C4H4F5N — CID 130418374

IUPAC(E)-1,2-difluoro-N-methyl-N-(trifluoromethyl)ethenamine
SMILESCN(/C(F)=C\F)C(F)(F)F
InChIInChI=1S/C4H4F5N/c1-10(3(6)2-5)4(7,8)9/h2H,1H3/b3-2-
InChIKeyGYTDJFNXZVSKGX-IHWYPQMZSA-N
MW161.07 g/mol
LogP2.18
Rot. Bonds1

About (E)-1,2-difluoro-N-methyl-N-(trifluoromethyl)ethenamine

(E)-1,2-difluoro-N-methyl-N-(trifluoromethyl)ethenamine (PubChem CID 130418374) has the molecular formula C4H4F5N and a molecular weight of 161.07 g/mol. Its IUPAC name is (E)-1,2-difluoro-N-methyl-N-(trifluoromethyl)ethenamine.

Molecular Properties

Compound Name(E)-1,2-difluoro-N-methyl-N-(trifluoromethyl)ethenamine
PubChem CID130418374
Molecular FormulaC4H4F5N
Molecular Weight161.07 g/mol
Exact Mass161.03
IUPAC Name(E)-1,2-difluoro-N-methyl-N-(trifluoromethyl)ethenamine
SMILESCN(/C(F)=C\F)C(F)(F)F
InChIInChI=1S/C4H4F5N/c1-10(3(6)2-5)4(7,8)9/h2H,1H3/b3-2-
InChIKeyGYTDJFNXZVSKGX-IHWYPQMZSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.07
LogP ≤ 52.18
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 (E)-1,2-difluoro-N-methyl-N-(trifluoromethyl)ethenamine?
The IUPAC name of (E)-1,2-difluoro-N-methyl-N-(trifluoromethyl)ethenamine (CID 130418374) is (E)-1,2-difluoro-N-methyl-N-(trifluoromethyl)ethenamine.
What is the SMILES notation for (E)-1,2-difluoro-N-methyl-N-(trifluoromethyl)ethenamine?
The canonical SMILES for (E)-1,2-difluoro-N-methyl-N-(trifluoromethyl)ethenamine is CN(/C(F)=C\F)C(F)(F)F.
What is the InChIKey of (E)-1,2-difluoro-N-methyl-N-(trifluoromethyl)ethenamine?
The InChIKey is GYTDJFNXZVSKGX-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H4F5N/c1-10(3(6)2-5)4(7,8)9/h2H,1H3/b3-2-.
What are the key properties of (E)-1,2-difluoro-N-methyl-N-(trifluoromethyl)ethenamine?
(E)-1,2-difluoro-N-methyl-N-(trifluoromethyl)ethenamine has a molecular weight of 161.07 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-difluoro-N-methyl-N-(trifluoromethyl)ethenamine is sourced from PubChem (CID 130418374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).