N-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide

C6H7F3N2 — CID 123466878

IUPACN-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C(=C)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-4(6(7,8)9)3-11-5(2)10/h3,10H,1H2,2H3/b10-5+,11-3+
InChIKeyXYDMVGBKBSEXPP-UCENINCXSA-N
MW164.13 g/mol
LogP2.17
Rot. Bonds1

About N-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide

N-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide (PubChem CID 123466878) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide
PubChem CID123466878
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC NameN-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C(=C)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-4(6(7,8)9)3-11-5(2)10/h3,10H,1H2,2H3/b10-5+,11-3+
InChIKeyXYDMVGBKBSEXPP-UCENINCXSA-N
XLogP2.17
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide?
The IUPAC name of N-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide (CID 123466878) is N-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide.
What is the SMILES notation for N-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide?
The canonical SMILES for N-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide is [H]/N=C(C)/N=C/C(=C)C(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide?
The InChIKey is XYDMVGBKBSEXPP-UCENINCXSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-4(6(7,8)9)3-11-5(2)10/h3,10H,1H2,2H3/b10-5+,11-3+.
What are the key properties of N-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide?
N-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide has a molecular weight of 164.13 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide is sourced from PubChem (CID 123466878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).