3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide

C10H7ClF3NO — CID 169482204

IUPAC3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H7ClF3NO/c11-8-4-6(1-2-9(15)16)3-7(5-8)10(12,13)14/h1-5H,(H2,15,16)
InChIKeyFQKVQYNLEIUGLN-UHFFFAOYSA-N
MW249.62 g/mol
LogP2.86
Rot. Bonds2

About 3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide

3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 169482204) has the molecular formula C10H7ClF3NO and a molecular weight of 249.62 g/mol. Its IUPAC name is 3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID169482204
Molecular FormulaC10H7ClF3NO
Molecular Weight249.62 g/mol
Exact Mass249.02
IUPAC Name3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H7ClF3NO/c11-8-4-6(1-2-9(15)16)3-7(5-8)10(12,13)14/h1-5H,(H2,15,16)
InChIKeyFQKVQYNLEIUGLN-UHFFFAOYSA-N
XLogP2.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.62
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of 3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide (CID 169482204) is 3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide is NC(=O)C=Cc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is FQKVQYNLEIUGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3NO/c11-8-4-6(1-2-9(15)16)3-7(5-8)10(12,13)14/h1-5H,(H2,15,16).
What are the key properties of 3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide?
3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 249.62 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 169482204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).