N-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide

C10H18F2N2O2 — CID 103557394

IUPACN-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCC(F)(F)CN)CCC1
InChIInChI=1S/C10H18F2N2O2/c1-16-9(3-2-4-9)5-8(15)14-7-10(11,12)6-13/h2-7,13H2,1H3,(H,14,15)
InChIKeyWBDGEHZRPMHZBN-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.66
Rot. Bonds6

About N-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide

N-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103557394) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID103557394
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCC(F)(F)CN)CCC1
InChIInChI=1S/C10H18F2N2O2/c1-16-9(3-2-4-9)5-8(15)14-7-10(11,12)6-13/h2-7,13H2,1H3,(H,14,15)
InChIKeyWBDGEHZRPMHZBN-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide (CID 103557394) is N-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NCC(F)(F)CN)CCC1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is WBDGEHZRPMHZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-16-9(3-2-4-9)5-8(15)14-7-10(11,12)6-13/h2-7,13H2,1H3,(H,14,15).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide?
N-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 236.26 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103557394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).