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

C8H5F6NO2 — CID 14740074

IUPAC3-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1OC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H5F6NO2/c9-6(7(10,11)12)8(13,14)17-4-2-1-3-15-5(4)16/h1-3,6H,(H,15,16)
InChIKeyPWNSUKBRXMGGLC-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.25
Rot. Bonds3

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

3-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one (PubChem CID 14740074) has the molecular formula C8H5F6NO2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 3-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one
PubChem CID14740074
Molecular FormulaC8H5F6NO2
Molecular Weight261.12 g/mol
Exact Mass261.02
IUPAC Name3-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1OC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H5F6NO2/c9-6(7(10,11)12)8(13,14)17-4-2-1-3-15-5(4)16/h1-3,6H,(H,15,16)
InChIKeyPWNSUKBRXMGGLC-UHFFFAOYSA-N
XLogP2.25
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxy-2-pyridone
CID 88731
3-(Difluoromethoxy)pyridin-2-ol
CID 66617507
3-(Trifluoromethoxy)pyridin-2-OL
CID 130088832
5-fluoro-3-methoxy-1H-pyridin-2-one
CID 130840624
3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 140672179
1-Methyl-3-(trifluoromethoxy)pyridin-2-one
CID 171100720
5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 171552613
Ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one
CID 171801023
5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 177032160
5-fluoro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 178804171
4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118806046
4-(Difluoromethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118823904

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one?
The IUPAC name of 3-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one (CID 14740074) is 3-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one is O=c1[nH]cccc1OC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 3-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one?
The InChIKey is PWNSUKBRXMGGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO2/c9-6(7(10,11)12)8(13,14)17-4-2-1-3-15-5(4)16/h1-3,6H,(H,15,16).
What are the key properties of 3-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one?
3-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one has a molecular weight of 261.12 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one is sourced from PubChem (CID 14740074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).