N-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide

C7H12F2N2O — CID 130691680

IUPACN-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide
SMILESCC(=O)NC1(CC(F)F)CNC1
InChIInChI=1S/C7H12F2N2O/c1-5(12)11-7(2-6(8)9)3-10-4-7/h6,10H,2-4H2,1H3,(H,11,12)
InChIKeyLZWIVWFJPZMBSK-UHFFFAOYSA-N
MW178.18 g/mol
LogP0.12
Rot. Bonds3

About N-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide

N-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide (PubChem CID 130691680) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is N-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide
PubChem CID130691680
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC NameN-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide
SMILESCC(=O)NC1(CC(F)F)CNC1
InChIInChI=1S/C7H12F2N2O/c1-5(12)11-7(2-6(8)9)3-10-4-7/h6,10H,2-4H2,1H3,(H,11,12)
InChIKeyLZWIVWFJPZMBSK-UHFFFAOYSA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate
CID 138552375
N-(1-ethylcyclopropyl)acetamide
CID 67691252
N-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 130014690
1-[1-(2,2-difluoroethyl)cyclopropyl]ethanone
CID 106796985
N-(2,2-difluoroethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611604
tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate
CID 135392464
2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142077
2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid
CID 107142855
N-[1-(2-methylpropyl)-3-oxocyclopentyl]acetamide
CID 59050110
N-(fluoromethyl)acetamide
CID 90974509
4,4-dimethyl-3-[(3-propylazetidin-3-yl)carbamoyl]pentanoic acid
CID 175618068
N-[4-(cyclohexylmethyl)piperidin-4-yl]acetamide
CID 18318114

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide?
The IUPAC name of N-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide (CID 130691680) is N-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide.
What is the SMILES notation for N-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide?
The canonical SMILES for N-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide is CC(=O)NC1(CC(F)F)CNC1.
What is the InChIKey of N-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide?
The InChIKey is LZWIVWFJPZMBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O/c1-5(12)11-7(2-6(8)9)3-10-4-7/h6,10H,2-4H2,1H3,(H,11,12).
What are the key properties of N-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide?
N-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide has a molecular weight of 178.18 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluoroethyl)azetidin-3-yl]acetamide is sourced from PubChem (CID 130691680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).