1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one

C10H9ClF3NO — CID 103065846

IUPAC1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one
SMILESC=C(CCl)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C10H9ClF3NO/c1-7(5-11)6-15-8(10(12,13)14)3-2-4-9(15)16/h2-4H,1,5-6H2
InChIKeyZZPVJXZROOJBAK-UHFFFAOYSA-N
MW251.63 g/mol
LogP2.66
Rot. Bonds3

About 1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 103065846) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is 1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID103065846
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC Name1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one
SMILESC=C(CCl)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C10H9ClF3NO/c1-7(5-11)6-15-8(10(12,13)14)3-2-4-9(15)16/h2-4H,1,5-6H2
InChIKeyZZPVJXZROOJBAK-UHFFFAOYSA-N
XLogP2.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one (CID 103065846) is 1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one is C=C(CCl)Cn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZZPVJXZROOJBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c1-7(5-11)6-15-8(10(12,13)14)3-2-4-9(15)16/h2-4H,1,5-6H2.
What are the key properties of 1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 251.63 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 103065846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).