(3,3-difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone

C8H7F2N3O — CID 143638955

IUPAC(3,3-difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CC(F)(F)C1
InChIInChI=1S/C8H7F2N3O/c9-8(10)4-13(5-8)7(14)6-11-2-1-3-12-6/h1-3H,4-5H2
InChIKeyNBUUZHKLVOUJPM-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.57
Rot. Bonds1

About (3,3-difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone

(3,3-difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone (PubChem CID 143638955) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone
PubChem CID143638955
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name(3,3-difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CC(F)(F)C1
InChIInChI=1S/C8H7F2N3O/c9-8(10)4-13(5-8)7(14)6-11-2-1-3-12-6/h1-3H,4-5H2
InChIKeyNBUUZHKLVOUJPM-UHFFFAOYSA-N
XLogP0.57
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-1-(4-pyrimidin-2-ylpiperazinyl)ethan-1-one
CID 753091
N-methylpyrimidine-2-carboxamide
CID 18505834
N,N-diethyl-2-[4-(2-pyrimidyl)piperazino]acetamide;oxalic acid
CID 651793
4-amino-N,N-dimethylpyrimidine-2-carboxamide
CID 117212988
Pyrimidine-2-carboxamide
CID 15149799
N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 71996239
1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72902005
2,2,2-Trifluoro-1-(pyrimidin-2-yl)ethan-1-one
CID 66466089
Pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 68869705
2,2,2-trifluoro-N-pyrimidin-2-yl-N-(2,2,2-trifluoroacetyl)acetamide
CID 87851087
N-(trifluoromethyl)pyrimidine-2-carboxamide
CID 118023701
4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
CID 123920124

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone (CID 143638955) is (3,3-difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone is O=C(c1ncccn1)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone?
The InChIKey is NBUUZHKLVOUJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-8(10)4-13(5-8)7(14)6-11-2-1-3-12-6/h1-3H,4-5H2.
What are the key properties of (3,3-difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone?
(3,3-difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone has a molecular weight of 199.16 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 143638955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).