N-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide

C10H18F2N2O2 — CID 103213009

IUPACN-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide
SMILESNCC1(NC(=O)CCOCC(F)F)CCC1
InChIInChI=1S/C10H18F2N2O2/c11-8(12)6-16-5-2-9(15)14-10(7-13)3-1-4-10/h8H,1-7,13H2,(H,14,15)
InChIKeyYMQMWGFDIJWWGJ-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.66
Rot. Bonds7

About N-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide

N-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103213009) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide
PubChem CID103213009
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC NameN-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide
SMILESNCC1(NC(=O)CCOCC(F)F)CCC1
InChIInChI=1S/C10H18F2N2O2/c11-8(12)6-16-5-2-9(15)14-10(7-13)3-1-4-10/h8H,1-7,13H2,(H,14,15)
InChIKeyYMQMWGFDIJWWGJ-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide (CID 103213009) is N-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide is NCC1(NC(=O)CCOCC(F)F)CCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is YMQMWGFDIJWWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c11-8(12)6-16-5-2-9(15)14-10(7-13)3-1-4-10/h8H,1-7,13H2,(H,14,15).
What are the key properties of N-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide?
N-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 236.26 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103213009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).