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

C8H7F2NO — CID 58516108

IUPAC1-[2-(difluoromethyl)-4-pyridinyl]ethanone
SMILESCC(=O)c1ccnc(C(F)F)c1
InChIInChI=1S/C8H7F2NO/c1-5(12)6-2-3-11-7(4-6)8(9)10/h2-4,8H,1H3
InChIKeyTYLZKBGNHNAPDG-UHFFFAOYSA-N
MW171.15 g/mol
LogP2.22
Rot. Bonds2

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

1-[2-(difluoromethyl)-4-pyridinyl]ethanone (PubChem CID 58516108) has the molecular formula C8H7F2NO and a molecular weight of 171.15 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-4-pyridinyl]ethanone
PubChem CID58516108
Molecular FormulaC8H7F2NO
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name1-[2-(difluoromethyl)-4-pyridinyl]ethanone
SMILESCC(=O)c1ccnc(C(F)F)c1
InChIInChI=1S/C8H7F2NO/c1-5(12)6-2-3-11-7(4-6)8(9)10/h2-4,8H,1H3
InChIKeyTYLZKBGNHNAPDG-UHFFFAOYSA-N
XLogP2.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-4-pyridinyl]ethanone?
The IUPAC name of 1-[2-(difluoromethyl)-4-pyridinyl]ethanone (CID 58516108) is 1-[2-(difluoromethyl)-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-(difluoromethyl)-4-pyridinyl]ethanone?
The canonical SMILES for 1-[2-(difluoromethyl)-4-pyridinyl]ethanone is CC(=O)c1ccnc(C(F)F)c1.
What is the InChIKey of 1-[2-(difluoromethyl)-4-pyridinyl]ethanone?
The InChIKey is TYLZKBGNHNAPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO/c1-5(12)6-2-3-11-7(4-6)8(9)10/h2-4,8H,1H3.
What are the key properties of 1-[2-(difluoromethyl)-4-pyridinyl]ethanone?
1-[2-(difluoromethyl)-4-pyridinyl]ethanone has a molecular weight of 171.15 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-4-pyridinyl]ethanone is sourced from PubChem (CID 58516108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).