1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone

C11H11F2NO — CID 141369177

IUPAC1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CC(F)(F)C1
InChIInChI=1S/C11H11F2NO/c12-11(13)7-14(8-11)10(15)6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyJUTCWGMCACNZGR-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.71
Rot. Bonds2

About 1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone

1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone (PubChem CID 141369177) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone
PubChem CID141369177
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CC(F)(F)C1
InChIInChI=1S/C11H11F2NO/c12-11(13)7-14(8-11)10(15)6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyJUTCWGMCACNZGR-UHFFFAOYSA-N
XLogP1.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone
CID 110472108
1,1-difluorocyclopropane;2-phenylacetic acid
CID 165403189
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone
CID 108533382
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 114801701
2-(4-bromophenyl)-1-(3,3-difluoropiperidin-1-yl)ethanone
CID 121409675
1-(2-phenylacetyl)piperidine-4-carbonitrile
CID 39247378
3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one
CID 119708809
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone?
The IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone (CID 141369177) is 1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone is O=C(Cc1ccccc1)N1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone?
The InChIKey is JUTCWGMCACNZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c12-11(13)7-14(8-11)10(15)6-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone?
1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone has a molecular weight of 211.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 141369177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).