2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide

C8H13F2NO2 — CID 175397048

IUPAC2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CC1CC(F)(F)C1)NCCO
InChIInChI=1S/C8H13F2NO2/c9-8(10)4-6(5-8)3-7(13)11-1-2-12/h6,12H,1-5H2,(H,11,13)
InChIKeyMMKMFRVFQGUYFD-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.53
Rot. Bonds4

About 2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide

2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 175397048) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide
PubChem CID175397048
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CC1CC(F)(F)C1)NCCO
InChIInChI=1S/C8H13F2NO2/c9-8(10)4-6(5-8)3-7(13)11-1-2-12/h6,12H,1-5H2,(H,11,13)
InChIKeyMMKMFRVFQGUYFD-UHFFFAOYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide (CID 175397048) is 2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide is O=C(CC1CC(F)(F)C1)NCCO.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is MMKMFRVFQGUYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-8(10)4-6(5-8)3-7(13)11-1-2-12/h6,12H,1-5H2,(H,11,13).
What are the key properties of 2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide?
2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 193.19 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 175397048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).