1-chloro-1,2,2-trifluoroethene;prop-2-enamide

C5H5ClF3NO — CID 23450576

IUPAC1-chloro-1,2,2-trifluoroethene;prop-2-enamide
SMILESC=CC(N)=O.FC(F)=C(F)Cl
InChIInChI=1S/C3H5NO.C2ClF3/c1-2-3(4)5;3-1(4)2(5)6/h2H,1H2,(H2,4,5);
InChIKeyVBVQCXWYMMBAFX-UHFFFAOYSA-N
MW187.55 g/mol
LogP1.92
Rot. Bonds1

About 1-chloro-1,2,2-trifluoroethene;prop-2-enamide

1-chloro-1,2,2-trifluoroethene;prop-2-enamide (PubChem CID 23450576) has the molecular formula C5H5ClF3NO and a molecular weight of 187.55 g/mol. Its IUPAC name is 1-chloro-1,2,2-trifluoroethene;prop-2-enamide.

Molecular Properties

Compound Name1-chloro-1,2,2-trifluoroethene;prop-2-enamide
PubChem CID23450576
Molecular FormulaC5H5ClF3NO
Molecular Weight187.55 g/mol
Exact Mass187.00
IUPAC Name1-chloro-1,2,2-trifluoroethene;prop-2-enamide
SMILESC=CC(N)=O.FC(F)=C(F)Cl
InChIInChI=1S/C3H5NO.C2ClF3/c1-2-3(4)5;3-1(4)2(5)6/h2H,1H2,(H2,4,5);
InChIKeyVBVQCXWYMMBAFX-UHFFFAOYSA-N
XLogP1.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.55
LogP ≤ 51.92
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 1-chloro-1,2,2-trifluoroethene;prop-2-enamide?
The IUPAC name of 1-chloro-1,2,2-trifluoroethene;prop-2-enamide (CID 23450576) is 1-chloro-1,2,2-trifluoroethene;prop-2-enamide.
What is the SMILES notation for 1-chloro-1,2,2-trifluoroethene;prop-2-enamide?
The canonical SMILES for 1-chloro-1,2,2-trifluoroethene;prop-2-enamide is C=CC(N)=O.FC(F)=C(F)Cl.
What is the InChIKey of 1-chloro-1,2,2-trifluoroethene;prop-2-enamide?
The InChIKey is VBVQCXWYMMBAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.C2ClF3/c1-2-3(4)5;3-1(4)2(5)6/h2H,1H2,(H2,4,5);.
What are the key properties of 1-chloro-1,2,2-trifluoroethene;prop-2-enamide?
1-chloro-1,2,2-trifluoroethene;prop-2-enamide has a molecular weight of 187.55 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2,2-trifluoroethene;prop-2-enamide is sourced from PubChem (CID 23450576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).