3,3-difluoro-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide

C11H17F2NO2 — CID 146079569

IUPAC3,3-difluoro-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(NCC1CCOCC1)C1CC(F)(F)C1
InChIInChI=1S/C11H17F2NO2/c12-11(13)5-9(6-11)10(15)14-7-8-1-3-16-4-2-8/h8-9H,1-7H2,(H,14,15)
InChIKeyGZMQQLNMYYOJFI-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.57
Rot. Bonds3

About 3,3-difluoro-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide

3,3-difluoro-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 146079569) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 3,3-difluoro-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
PubChem CID146079569
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name3,3-difluoro-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(NCC1CCOCC1)C1CC(F)(F)C1
InChIInChI=1S/C11H17F2NO2/c12-11(13)5-9(6-11)10(15)14-7-8-1-3-16-4-2-8/h8-9H,1-7H2,(H,14,15)
InChIKeyGZMQQLNMYYOJFI-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide (CID 146079569) is 3,3-difluoro-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide is O=C(NCC1CCOCC1)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is GZMQQLNMYYOJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c12-11(13)5-9(6-11)10(15)14-7-8-1-3-16-4-2-8/h8-9H,1-7H2,(H,14,15).
What are the key properties of 3,3-difluoro-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide?
3,3-difluoro-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 233.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 146079569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).