1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone

C8H6F3NO — CID 155687705

IUPAC1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone
SMILESCC(=O)c1nccc(C(F)F)c1F
InChIInChI=1S/C8H6F3NO/c1-4(13)7-6(9)5(8(10)11)2-3-12-7/h2-3,8H,1H3
InChIKeyHJJARNMKSYLBED-UHFFFAOYSA-N
MW189.14 g/mol
LogP2.36
Rot. Bonds2

About 1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone

1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone (PubChem CID 155687705) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone
PubChem CID155687705
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone
SMILESCC(=O)c1nccc(C(F)F)c1F
InChIInChI=1S/C8H6F3NO/c1-4(13)7-6(9)5(8(10)11)2-3-12-7/h2-3,8H,1H3
InChIKeyHJJARNMKSYLBED-UHFFFAOYSA-N
XLogP2.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-acetylpyrazin-2-yl)ethanone
CID 22166162
methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130096872
ethyl 2-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 133090947
1-(5,6,7-trifluoroisoquinolin-1-yl)ethanone
CID 82576140
ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate
CID 133088342
4-(difluoromethyl)-2-methylpyridine-3-carboxamide
CID 118840150
1-(3,4-dimethyl-2-pyridinyl)ethanone
CID 23003457
1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone
CID 131332582
methyl 2-[4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 133091160
1-[3-bromo-6-(difluoromethyl)-2-fluorophenyl]ethanone
CID 131278161
5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine
CID 139525099

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone?
The IUPAC name of 1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone (CID 155687705) is 1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone?
The canonical SMILES for 1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone is CC(=O)c1nccc(C(F)F)c1F.
What is the InChIKey of 1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone?
The InChIKey is HJJARNMKSYLBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c1-4(13)7-6(9)5(8(10)11)2-3-12-7/h2-3,8H,1H3.
What are the key properties of 1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone?
1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone has a molecular weight of 189.14 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone is sourced from PubChem (CID 155687705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).