3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one

C8H4ClF6NO2 — CID 14665045

IUPAC3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)C(F)C(F)(F)F)cc1Cl
InChIInChI=1S/C8H4ClF6NO2/c9-4-1-3(2-16-5(4)17)18-8(14,15)6(10)7(11,12)13/h1-2,6H,(H,16,17)
InChIKeyRAFQDGMQZCKAGW-UHFFFAOYSA-N
MW295.57 g/mol
LogP2.90
Rot. Bonds3

About 3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one

3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one (PubChem CID 14665045) has the molecular formula C8H4ClF6NO2 and a molecular weight of 295.57 g/mol. Its IUPAC name is 3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one
PubChem CID14665045
Molecular FormulaC8H4ClF6NO2
Molecular Weight295.57 g/mol
Exact Mass294.98
IUPAC Name3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)C(F)C(F)(F)F)cc1Cl
InChIInChI=1S/C8H4ClF6NO2/c9-4-1-3(2-16-5(4)17)18-8(14,15)6(10)7(11,12)13/h1-2,6H,(H,16,17)
InChIKeyRAFQDGMQZCKAGW-UHFFFAOYSA-N
XLogP2.90
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.57
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Chloro-5-(1,1,2,2-tetrafluoro-ethoxy)-pyridin-2-ol
CID 14665042
5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one
CID 14665040
3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one
CID 14665041
5-(1,1,2,2-Tetrafluoroethoxy)pyridin-2-ol
CID 14665038
5-(2-Chloro-1,1,2-trifluoroethoxy)pyridin-2-ol
CID 14665039
3-Chloro-5-(2-chloro-1,1,2-trifluoroethoxy)pyridin-2-ol
CID 14665044
3-Fluoro-5-(1,1,2,2-tetrafluoroethoxy)-2-pyridinol
CID 14837014
3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 90752796
3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 91483917
3-Chloro-5-methoxypyridin-2-OL
CID 72212891

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one (CID 14665045) is 3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one is O=c1[nH]cc(OC(F)(F)C(F)C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one?
The InChIKey is RAFQDGMQZCKAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF6NO2/c9-4-1-3(2-16-5(4)17)18-8(14,15)6(10)7(11,12)13/h1-2,6H,(H,16,17).
What are the key properties of 3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one?
3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one has a molecular weight of 295.57 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one is sourced from PubChem (CID 14665045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).