2-[1-(aminomethyl)cyclobutyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide

C10H18F2N2O2 — CID 106176814

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESNCC1(CC(=O)NCC(F)(F)CO)CCC1
InChIInChI=1S/C10H18F2N2O2/c11-10(12,7-15)6-14-8(16)4-9(5-13)2-1-3-9/h15H,1-7,13H2,(H,14,16)
InChIKeyHDPZBTLVPJUOAZ-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.25
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide (PubChem CID 106176814) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide
PubChem CID106176814
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESNCC1(CC(=O)NCC(F)(F)CO)CCC1
InChIInChI=1S/C10H18F2N2O2/c11-10(12,7-15)6-14-8(16)4-9(5-13)2-1-3-9/h15H,1-7,13H2,(H,14,16)
InChIKeyHDPZBTLVPJUOAZ-UHFFFAOYSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 65292478
2-[1-(aminomethyl)cyclobutyl]-N-(3,3,3-trifluoropropyl)acetamide
CID 81168385
2-[1-(aminomethyl)cyclobutyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 81168703
2-[1-(aminomethyl)cyclobutyl]-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81172524
2-[1-(aminomethyl)cyclobutyl]-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81172558
2-[1-(aminomethyl)cyclobutyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 81179084
N-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide
CID 104857124
N-(2,2-difluoro-3-hydroxypropyl)-1-methylcyclopentane-1-carboxamide
CID 104857176
1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide
CID 104857177
N-(2,2-difluoro-3-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide
CID 104857293
N-(2,2-difluoro-3-hydroxypropyl)-2-ethylhexanamide
CID 104857932
N-(2,2-difluoro-3-hydroxypropyl)-3,5,5-trimethylhexanamide
CID 104857975

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide (CID 106176814) is 2-[1-(aminomethyl)cyclobutyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide is NCC1(CC(=O)NCC(F)(F)CO)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The InChIKey is HDPZBTLVPJUOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c11-10(12,7-15)6-14-8(16)4-9(5-13)2-1-3-9/h15H,1-7,13H2,(H,14,16).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide has a molecular weight of 236.26 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide is sourced from PubChem (CID 106176814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).