2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide

C12H13F3N2O — CID 171327661

IUPAC2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CC(C(F)F)C1)Nc1ccc(F)cc1
InChIInChI=1S/C12H13F3N2O/c13-9-1-3-10(4-2-9)16-11(18)7-17-5-8(6-17)12(14)15/h1-4,8,12H,5-7H2,(H,16,18)
InChIKeyRKBHUQLYMUOVCY-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.96
Rot. Bonds4

About 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide

2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 171327661) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID171327661
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CC(C(F)F)C1)Nc1ccc(F)cc1
InChIInChI=1S/C12H13F3N2O/c13-9-1-3-10(4-2-9)16-11(18)7-17-5-8(6-17)12(14)15/h1-4,8,12H,5-7H2,(H,16,18)
InChIKeyRKBHUQLYMUOVCY-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide
CID 171998342
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide
CID 163357389
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
2-[3-(difluoromethyl)azetidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 171999146
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 102977214
2-(3-aminopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 61297951
N-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 155980853
N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719254
N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 8719101

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide (CID 171327661) is 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CC(C(F)F)C1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is RKBHUQLYMUOVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-9-1-3-10(4-2-9)16-11(18)7-17-5-8(6-17)12(14)15/h1-4,8,12H,5-7H2,(H,16,18).
What are the key properties of 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 258.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 171327661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).