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

C8H3ClF7NO — CID 118065026

IUPAC3-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Cl
InChIInChI=1S/C8H3ClF7NO/c9-4-1-3(2-17-5(4)18)6(10,7(11,12)13)8(14,15)16/h1-2H,(H,17,18)
InChIKeyYXTGUYDNPREZFO-UHFFFAOYSA-N
MW297.56 g/mol
LogP3.32
Rot. Bonds1

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

3-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one (PubChem CID 118065026) has the molecular formula C8H3ClF7NO and a molecular weight of 297.56 g/mol. Its IUPAC name is 3-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one
PubChem CID118065026
Molecular FormulaC8H3ClF7NO
Molecular Weight297.56 g/mol
Exact Mass296.98
IUPAC Name3-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Cl
InChIInChI=1S/C8H3ClF7NO/c9-4-1-3(2-17-5(4)18)6(10,7(11,12)13)8(14,15)16/h1-2H,(H,17,18)
InChIKeyYXTGUYDNPREZFO-UHFFFAOYSA-N
XLogP3.32
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.56
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one (CID 118065026) is 3-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one?
The InChIKey is YXTGUYDNPREZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF7NO/c9-4-1-3(2-17-5(4)18)6(10,7(11,12)13)8(14,15)16/h1-2H,(H,17,18).
What are the key properties of 3-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one?
3-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one has a molecular weight of 297.56 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 118065026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).