1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one

C9H8F3NO2 — CID 174736151

IUPAC1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1cncc(OC(F)(F)F)c1
InChIInChI=1S/C9H8F3NO2/c1-2-8(14)6-3-7(5-13-4-6)15-9(10,11)12/h3-5H,2H2,1H3
InChIKeyWXTNLEKNIBGGKR-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.57
Rot. Bonds3

About 1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one

1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one (PubChem CID 174736151) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one
PubChem CID174736151
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1cncc(OC(F)(F)F)c1
InChIInChI=1S/C9H8F3NO2/c1-2-8(14)6-3-7(5-13-4-6)15-9(10,11)12/h3-5H,2H2,1H3
InChIKeyWXTNLEKNIBGGKR-UHFFFAOYSA-N
XLogP2.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(difluoromethyl)-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134622513
1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one
CID 144880810
2-[5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 170997237
1-(5-sulfanyl-3-pyridinyl)propan-1-one
CID 143328134
1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one
CID 67889873
3-fluoro-5-(trifluoromethoxy)pyridine
CID 91532712
(5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 115791642
1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one
CID 134620299
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-one
CID 118807482
1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one
CID 118808993
5-pentan-2-yloxypyridine-3-carboxylic acid
CID 107890063
1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone
CID 164895664

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one (CID 174736151) is 1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one is CCC(=O)c1cncc(OC(F)(F)F)c1.
What is the InChIKey of 1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one?
The InChIKey is WXTNLEKNIBGGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-2-8(14)6-3-7(5-13-4-6)15-9(10,11)12/h3-5H,2H2,1H3.
What are the key properties of 1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one?
1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one has a molecular weight of 219.16 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one is sourced from PubChem (CID 174736151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).