N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide

C11H19F2NO3 — CID 107482525

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)N(CCO)CC(F)F)CCC1
InChIInChI=1S/C11H19F2NO3/c1-17-11(3-2-4-11)7-10(16)14(5-6-15)8-9(12)13/h9,15H,2-8H2,1H3
InChIKeyWIOCHKCYXXMHBV-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.03
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 107482525) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID107482525
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)N(CCO)CC(F)F)CCC1
InChIInChI=1S/C11H19F2NO3/c1-17-11(3-2-4-11)7-10(16)14(5-6-15)8-9(12)13/h9,15H,2-8H2,1H3
InChIKeyWIOCHKCYXXMHBV-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide (CID 107482525) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)N(CCO)CC(F)F)CCC1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is WIOCHKCYXXMHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-17-11(3-2-4-11)7-10(16)14(5-6-15)8-9(12)13/h9,15H,2-8H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 251.27 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 107482525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).