2-(3,3-difluorocyclobutyl)-N-prop-2-ynylacetamide;methoxymethane

C11H17F2NO2 — CID 157030451

IUPAC2-(3,3-difluorocyclobutyl)-N-prop-2-ynylacetamide;methoxymethane
SMILESC#CCNC(=O)CC1CC(F)(F)C1.COC
InChIInChI=1S/C9H11F2NO.C2H6O/c1-2-3-12-8(13)4-7-5-9(10,11)6-7;1-3-2/h1,7H,3-6H2,(H,12,13);1-2H3
InChIKeyMFGIHCDXNUFWQO-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.43
Rot. Bonds3

About 2-(3,3-difluorocyclobutyl)-N-prop-2-ynylacetamide;methoxymethane

2-(3,3-difluorocyclobutyl)-N-prop-2-ynylacetamide;methoxymethane (PubChem CID 157030451) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-N-prop-2-ynylacetamide;methoxymethane.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-N-prop-2-ynylacetamide;methoxymethane
PubChem CID157030451
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name2-(3,3-difluorocyclobutyl)-N-prop-2-ynylacetamide;methoxymethane
SMILESC#CCNC(=O)CC1CC(F)(F)C1.COC
InChIInChI=1S/C9H11F2NO.C2H6O/c1-2-3-12-8(13)4-7-5-9(10,11)6-7;1-3-2/h1,7H,3-6H2,(H,12,13);1-2H3
InChIKeyMFGIHCDXNUFWQO-UHFFFAOYSA-N
XLogP1.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-N-prop-2-ynylacetamide;methoxymethane?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-N-prop-2-ynylacetamide;methoxymethane (CID 157030451) is 2-(3,3-difluorocyclobutyl)-N-prop-2-ynylacetamide;methoxymethane.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-N-prop-2-ynylacetamide;methoxymethane?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-N-prop-2-ynylacetamide;methoxymethane is C#CCNC(=O)CC1CC(F)(F)C1.COC.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-N-prop-2-ynylacetamide;methoxymethane?
The InChIKey is MFGIHCDXNUFWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO.C2H6O/c1-2-3-12-8(13)4-7-5-9(10,11)6-7;1-3-2/h1,7H,3-6H2,(H,12,13);1-2H3.
What are the key properties of 2-(3,3-difluorocyclobutyl)-N-prop-2-ynylacetamide;methoxymethane?
2-(3,3-difluorocyclobutyl)-N-prop-2-ynylacetamide;methoxymethane has a molecular weight of 233.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-N-prop-2-ynylacetamide;methoxymethane is sourced from PubChem (CID 157030451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).