bis[2-(2-fluoropropan-2-yl)-3-pyridinyl]methanone

C17H18F2N2O — CID 67402877

IUPACbis[2-(2-fluoropropan-2-yl)-3-pyridinyl]methanone
SMILESCC(C)(F)c1ncccc1C(=O)c1cccnc1C(C)(C)F
InChIInChI=1S/C17H18F2N2O/c1-16(2,18)14-11(7-5-9-20-14)13(22)12-8-6-10-21-15(12)17(3,4)19/h5-10H,1-4H3
InChIKeyJKNXMFQLZFTKJS-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.12
Rot. Bonds4

About bis[2-(2-fluoropropan-2-yl)-3-pyridinyl]methanone

bis[2-(2-fluoropropan-2-yl)-3-pyridinyl]methanone (PubChem CID 67402877) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is bis[2-(2-fluoropropan-2-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Namebis[2-(2-fluoropropan-2-yl)-3-pyridinyl]methanone
PubChem CID67402877
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Namebis[2-(2-fluoropropan-2-yl)-3-pyridinyl]methanone
SMILESCC(C)(F)c1ncccc1C(=O)c1cccnc1C(C)(C)F
InChIInChI=1S/C17H18F2N2O/c1-16(2,18)14-11(7-5-9-20-14)13(22)12-8-6-10-21-15(12)17(3,4)19/h5-10H,1-4H3
InChIKeyJKNXMFQLZFTKJS-UHFFFAOYSA-N
XLogP4.12
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis[2-(2-fluoropropan-2-yl)-3-pyridinyl]methanone?
The IUPAC name of bis[2-(2-fluoropropan-2-yl)-3-pyridinyl]methanone (CID 67402877) is bis[2-(2-fluoropropan-2-yl)-3-pyridinyl]methanone.
What is the SMILES notation for bis[2-(2-fluoropropan-2-yl)-3-pyridinyl]methanone?
The canonical SMILES for bis[2-(2-fluoropropan-2-yl)-3-pyridinyl]methanone is CC(C)(F)c1ncccc1C(=O)c1cccnc1C(C)(C)F.
What is the InChIKey of bis[2-(2-fluoropropan-2-yl)-3-pyridinyl]methanone?
The InChIKey is JKNXMFQLZFTKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-16(2,18)14-11(7-5-9-20-14)13(22)12-8-6-10-21-15(12)17(3,4)19/h5-10H,1-4H3.
What are the key properties of bis[2-(2-fluoropropan-2-yl)-3-pyridinyl]methanone?
bis[2-(2-fluoropropan-2-yl)-3-pyridinyl]methanone has a molecular weight of 304.34 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-fluoropropan-2-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 67402877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).