1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane

C10H13F2NO — CID 159616967

IUPAC1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane
SMILESCC.CC(=O)c1cccnc1C(F)F
InChIInChI=1S/C8H7F2NO.C2H6/c1-5(12)6-3-2-4-11-7(6)8(9)10;1-2/h2-4,8H,1H3;1-2H3
InChIKeyMNKAURDUFOJCDK-UHFFFAOYSA-N
MW201.22 g/mol
LogP3.25
Rot. Bonds2

About 1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane

1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane (PubChem CID 159616967) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane
PubChem CID159616967
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane
SMILESCC.CC(=O)c1cccnc1C(F)F
InChIInChI=1S/C8H7F2NO.C2H6/c1-5(12)6-3-2-4-11-7(6)8(9)10;1-2/h2-4,8H,1H3;1-2H3
InChIKeyMNKAURDUFOJCDK-UHFFFAOYSA-N
XLogP3.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
2-(difluoromethyl)pyridine-3-carboxylic acid;ethane;iodoform;methyl 2-(difluoromethyl)pyridine-3-carboxylate;molecular iodine
CID 159572524
1-[2-(difluoromethoxy)-3-pyridinyl]ethanone
CID 130837604
2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one
CID 176935005
1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone
CID 119054405
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
potassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide
CID 166000320
1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone
CID 166906639
3-bromo-2-(difluoromethyl)pyridine
CID 54758836
1-(2-pyridin-4-yl-3-pyridinyl)ethanone
CID 155731304
2-(3-fluoro-2-pyridinyl)propanoic acid
CID 91647505
1-[3-(difluoromethyl)-2-methylphenyl]ethanone
CID 138750714

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane?
The IUPAC name of 1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane (CID 159616967) is 1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane.
What is the SMILES notation for 1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane?
The canonical SMILES for 1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane is CC.CC(=O)c1cccnc1C(F)F.
What is the InChIKey of 1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane?
The InChIKey is MNKAURDUFOJCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO.C2H6/c1-5(12)6-3-2-4-11-7(6)8(9)10;1-2/h2-4,8H,1H3;1-2H3.
What are the key properties of 1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane?
1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane has a molecular weight of 201.22 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane is sourced from PubChem (CID 159616967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).