(Z)-2-(trifluoromethyl)but-2-enimidoyl chloride

C5H5ClF3N — CID 145025635

IUPAC(Z)-2-(trifluoromethyl)but-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C(=C\C)C(F)(F)F
InChIInChI=1S/C5H5ClF3N/c1-2-3(4(6)10)5(7,8)9/h2,10H,1H3/b3-2+,10-4-
InChIKeyVIWCYKAXSANQCJ-VAIMCSMNSA-N
MW171.55 g/mol
LogP2.71
Rot. Bonds1

About (Z)-2-(trifluoromethyl)but-2-enimidoyl chloride

(Z)-2-(trifluoromethyl)but-2-enimidoyl chloride (PubChem CID 145025635) has the molecular formula C5H5ClF3N and a molecular weight of 171.55 g/mol. Its IUPAC name is (Z)-2-(trifluoromethyl)but-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-2-(trifluoromethyl)but-2-enimidoyl chloride
PubChem CID145025635
Molecular FormulaC5H5ClF3N
Molecular Weight171.55 g/mol
Exact Mass171.01
IUPAC Name(Z)-2-(trifluoromethyl)but-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C(=C\C)C(F)(F)F
InChIInChI=1S/C5H5ClF3N/c1-2-3(4(6)10)5(7,8)9/h2,10H,1H3/b3-2+,10-4-
InChIKeyVIWCYKAXSANQCJ-VAIMCSMNSA-N
XLogP2.71
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.55
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(trifluoromethyl)but-2-enimidoyl chloride?
The IUPAC name of (Z)-2-(trifluoromethyl)but-2-enimidoyl chloride (CID 145025635) is (Z)-2-(trifluoromethyl)but-2-enimidoyl chloride.
What is the SMILES notation for (Z)-2-(trifluoromethyl)but-2-enimidoyl chloride?
The canonical SMILES for (Z)-2-(trifluoromethyl)but-2-enimidoyl chloride is [H]/N=C(Cl)/C(=C\C)C(F)(F)F.
What is the InChIKey of (Z)-2-(trifluoromethyl)but-2-enimidoyl chloride?
The InChIKey is VIWCYKAXSANQCJ-VAIMCSMNSA-N. The full InChI is InChI=1S/C5H5ClF3N/c1-2-3(4(6)10)5(7,8)9/h2,10H,1H3/b3-2+,10-4-.
What are the key properties of (Z)-2-(trifluoromethyl)but-2-enimidoyl chloride?
(Z)-2-(trifluoromethyl)but-2-enimidoyl chloride has a molecular weight of 171.55 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(trifluoromethyl)but-2-enimidoyl chloride is sourced from PubChem (CID 145025635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).