1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one

C8H7ClF3NO — CID 134573960

IUPAC1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1CCCl
InChIInChI=1S/C8H7ClF3NO/c9-3-5-13-4-1-2-6(7(13)14)8(10,11)12/h1-2,4H,3,5H2
InChIKeyLQVZZQXWTCEHQQ-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.11
Rot. Bonds2

About 1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one

1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one (PubChem CID 134573960) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one
PubChem CID134573960
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1CCCl
InChIInChI=1S/C8H7ClF3NO/c9-3-5-13-4-1-2-6(7(13)14)8(10,11)12/h1-2,4H,3,5H2
InChIKeyLQVZZQXWTCEHQQ-UHFFFAOYSA-N
XLogP2.11
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Chlorobutyl)-3-(trifluoromethyl)pyridin-2-one
CID 67242006
1-(4-Chlorobutyl)-4-(trifluoromethyl)pyridin-2-one
CID 67243484
3-Methyl-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 67345591
1-(2-Methylpropyl)-3-(trifluoromethyl)pyridin-2-one
CID 70905371
1-Propyl-3-(trifluoromethyl)pyridin-2-one
CID 91290615
1-(2,2-Difluoroethyl)-3-methylpyridin-2-one
CID 115978281
1-Ethyl-3-(trifluoromethyl)pyridin-2-one
CID 130708309
Ethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 178099023
2-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]acetonitrile
CID 45868337
1-(2-Chloroethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279573
1-(3-Chloropropyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279614
1-(4-Chlorobut-2-enyl)-5-(trifluoromethyl)pyridin-2-one
CID 77051651

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one (CID 134573960) is 1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one is O=c1c(C(F)(F)F)cccn1CCCl.
What is the InChIKey of 1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is LQVZZQXWTCEHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c9-3-5-13-4-1-2-6(7(13)14)8(10,11)12/h1-2,4H,3,5H2.
What are the key properties of 1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one?
1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 225.60 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 134573960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).