2-[(1-tert-butyl-3,3-difluorocyclobutyl)amino]acetamide

C10H18F2N2O — CID 140911440

IUPAC2-[(1-tert-butyl-3,3-difluorocyclobutyl)amino]acetamide
SMILESCC(C)(C)C1(NCC(N)=O)CC(F)(F)C1
InChIInChI=1S/C10H18F2N2O/c1-8(2,3)9(14-4-7(13)15)5-10(11,12)6-9/h14H,4-6H2,1-3H3,(H2,13,15)
InChIKeyKPAQPJRKKKNDRZ-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.28
Rot. Bonds3

About 2-[(1-tert-butyl-3,3-difluorocyclobutyl)amino]acetamide

2-[(1-tert-butyl-3,3-difluorocyclobutyl)amino]acetamide (PubChem CID 140911440) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-[(1-tert-butyl-3,3-difluorocyclobutyl)amino]acetamide.

Molecular Properties

Compound Name2-[(1-tert-butyl-3,3-difluorocyclobutyl)amino]acetamide
PubChem CID140911440
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name2-[(1-tert-butyl-3,3-difluorocyclobutyl)amino]acetamide
SMILESCC(C)(C)C1(NCC(N)=O)CC(F)(F)C1
InChIInChI=1S/C10H18F2N2O/c1-8(2,3)9(14-4-7(13)15)5-10(11,12)6-9/h14H,4-6H2,1-3H3,(H2,13,15)
InChIKeyKPAQPJRKKKNDRZ-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butyl-3,3-difluorocyclobutyl)amino]acetamide?
The IUPAC name of 2-[(1-tert-butyl-3,3-difluorocyclobutyl)amino]acetamide (CID 140911440) is 2-[(1-tert-butyl-3,3-difluorocyclobutyl)amino]acetamide.
What is the SMILES notation for 2-[(1-tert-butyl-3,3-difluorocyclobutyl)amino]acetamide?
The canonical SMILES for 2-[(1-tert-butyl-3,3-difluorocyclobutyl)amino]acetamide is CC(C)(C)C1(NCC(N)=O)CC(F)(F)C1.
What is the InChIKey of 2-[(1-tert-butyl-3,3-difluorocyclobutyl)amino]acetamide?
The InChIKey is KPAQPJRKKKNDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-8(2,3)9(14-4-7(13)15)5-10(11,12)6-9/h14H,4-6H2,1-3H3,(H2,13,15).
What are the key properties of 2-[(1-tert-butyl-3,3-difluorocyclobutyl)amino]acetamide?
2-[(1-tert-butyl-3,3-difluorocyclobutyl)amino]acetamide has a molecular weight of 220.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyl-3,3-difluorocyclobutyl)amino]acetamide is sourced from PubChem (CID 140911440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).