(3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone

C12H14F2N2O — CID 153498731

IUPAC(3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CC(F)(F)C2)cn1
InChIInChI=1S/C12H14F2N2O/c1-8(2)10-4-3-9(5-15-10)11(17)16-6-12(13,14)7-16/h3-5,8H,6-7H2,1-2H3
InChIKeyYONAEPDFSZHBHJ-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.30
Rot. Bonds2

About (3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone

(3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone (PubChem CID 153498731) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone
PubChem CID153498731
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name(3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CC(F)(F)C2)cn1
InChIInChI=1S/C12H14F2N2O/c1-8(2)10-4-3-9(5-15-10)11(17)16-6-12(13,14)7-16/h3-5,8H,6-7H2,1-2H3
InChIKeyYONAEPDFSZHBHJ-UHFFFAOYSA-N
XLogP2.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-difluoroazetidin-1-yl)-(6-methoxy-3-pyridinyl)methanone
CID 122269367
(3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone
CID 153498765
6-propan-2-ylpyridine-3-carboxamide
CID 821161
CID 171408447
CID 171408447
(6-chloro-3-pyridinyl)-(3,3-dimethylazetidin-1-yl)methanone
CID 131069080
(3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone
CID 166828507
2-[6-(difluoromethyl)pyridine-3-carbonyl]-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile
CID 162441868
[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39991441
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone
CID 154799862
(3,3-difluoroazetidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone
CID 118473535
[3-(3,3-difluoropyrrolidine-1-carbonyl)quinolin-8-yl]boronic acid
CID 174048232
(6-hydrazinyl-3-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745686

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone (CID 153498731) is (3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone is CC(C)c1ccc(C(=O)N2CC(F)(F)C2)cn1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone?
The InChIKey is YONAEPDFSZHBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-8(2)10-4-3-9(5-15-10)11(17)16-6-12(13,14)7-16/h3-5,8H,6-7H2,1-2H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone?
(3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone has a molecular weight of 240.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone is sourced from PubChem (CID 153498731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).