pyridine;1,1,1-trifluoropropan-2-one

C8H8F3NO — CID 175324748

IUPACpyridine;1,1,1-trifluoropropan-2-one
SMILESCC(=O)C(F)(F)F.c1ccncc1
InChIInChI=1S/C5H5N.C3H3F3O/c1-2-4-6-5-3-1;1-2(7)3(4,5)6/h1-5H;1H3
InChIKeyQOKUJYSONHOFGG-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.22
Rot. Bonds

About pyridine;1,1,1-trifluoropropan-2-one

pyridine;1,1,1-trifluoropropan-2-one (PubChem CID 175324748) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is pyridine;1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Namepyridine;1,1,1-trifluoropropan-2-one
PubChem CID175324748
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Namepyridine;1,1,1-trifluoropropan-2-one
SMILESCC(=O)C(F)(F)F.c1ccncc1
InChIInChI=1S/C5H5N.C3H3F3O/c1-2-4-6-5-3-1;1-2(7)3(4,5)6/h1-5H;1H3
InChIKeyQOKUJYSONHOFGG-UHFFFAOYSA-N
XLogP2.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyridine;1,1,1-trifluoropropan-2-one?
The IUPAC name of pyridine;1,1,1-trifluoropropan-2-one (CID 175324748) is pyridine;1,1,1-trifluoropropan-2-one.
What is the SMILES notation for pyridine;1,1,1-trifluoropropan-2-one?
The canonical SMILES for pyridine;1,1,1-trifluoropropan-2-one is CC(=O)C(F)(F)F.c1ccncc1.
What is the InChIKey of pyridine;1,1,1-trifluoropropan-2-one?
The InChIKey is QOKUJYSONHOFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C3H3F3O/c1-2-4-6-5-3-1;1-2(7)3(4,5)6/h1-5H;1H3.
What are the key properties of pyridine;1,1,1-trifluoropropan-2-one?
pyridine;1,1,1-trifluoropropan-2-one has a molecular weight of 191.15 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 175324748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).