3,3-difluoro-N,N,1-trimethylcyclobutane-1-carboxamide

C8H13F2NO — CID 147854420

IUPAC3,3-difluoro-N,N,1-trimethylcyclobutane-1-carboxamide
SMILESCN(C)C(=O)C1(C)CC(F)(F)C1
InChIInChI=1S/C8H13F2NO/c1-7(6(12)11(2)3)4-8(9,10)5-7/h4-5H2,1-3H3
InChIKeyHVLPJSVKNUXLRN-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.51
Rot. Bonds1

About 3,3-difluoro-N,N,1-trimethylcyclobutane-1-carboxamide

3,3-difluoro-N,N,1-trimethylcyclobutane-1-carboxamide (PubChem CID 147854420) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3,3-difluoro-N,N,1-trimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N,N,1-trimethylcyclobutane-1-carboxamide
PubChem CID147854420
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3,3-difluoro-N,N,1-trimethylcyclobutane-1-carboxamide
SMILESCN(C)C(=O)C1(C)CC(F)(F)C1
InChIInChI=1S/C8H13F2NO/c1-7(6(12)11(2)3)4-8(9,10)5-7/h4-5H2,1-3H3
InChIKeyHVLPJSVKNUXLRN-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N,N,1-trimethylcyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N,N,1-trimethylcyclobutane-1-carboxamide (CID 147854420) is 3,3-difluoro-N,N,1-trimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N,N,1-trimethylcyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N,N,1-trimethylcyclobutane-1-carboxamide is CN(C)C(=O)C1(C)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N,N,1-trimethylcyclobutane-1-carboxamide?
The InChIKey is HVLPJSVKNUXLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-7(6(12)11(2)3)4-8(9,10)5-7/h4-5H2,1-3H3.
What are the key properties of 3,3-difluoro-N,N,1-trimethylcyclobutane-1-carboxamide?
3,3-difluoro-N,N,1-trimethylcyclobutane-1-carboxamide has a molecular weight of 177.19 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N,N,1-trimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 147854420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).