2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide

C12H13F2NO — CID 121344994

IUPAC2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide
SMILESNC(=O)CC1(c2ccc(F)c(F)c2)CCC1
InChIInChI=1S/C12H13F2NO/c13-9-3-2-8(6-10(9)14)12(4-1-5-12)7-11(15)16/h2-3,6H,1,4-5,7H2,(H2,15,16)
InChIKeyBXTXQWRQAJKCIB-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.26
Rot. Bonds3

About 2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide

2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide (PubChem CID 121344994) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide
PubChem CID121344994
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide
SMILESNC(=O)CC1(c2ccc(F)c(F)c2)CCC1
InChIInChI=1S/C12H13F2NO/c13-9-3-2-8(6-10(9)14)12(4-1-5-12)7-11(15)16/h2-3,6H,1,4-5,7H2,(H2,15,16)
InChIKeyBXTXQWRQAJKCIB-UHFFFAOYSA-N
XLogP2.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide?
The IUPAC name of 2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide (CID 121344994) is 2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide.
What is the SMILES notation for 2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide?
The canonical SMILES for 2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide is NC(=O)CC1(c2ccc(F)c(F)c2)CCC1.
What is the InChIKey of 2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide?
The InChIKey is BXTXQWRQAJKCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-9-3-2-8(6-10(9)14)12(4-1-5-12)7-11(15)16/h2-3,6H,1,4-5,7H2,(H2,15,16).
What are the key properties of 2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide?
2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide has a molecular weight of 225.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide is sourced from PubChem (CID 121344994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).