N-cyclobutyl-2,2,2-trifluoroacetamide

C6H8F3NO — CID 63710496

IUPACN-cyclobutyl-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCC1)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5(11)10-4-2-1-3-4/h4H,1-3H2,(H,10,11)
InChIKeyFIRMKFKJLCPRHL-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.22
Rot. Bonds1

About N-cyclobutyl-2,2,2-trifluoroacetamide

N-cyclobutyl-2,2,2-trifluoroacetamide (PubChem CID 63710496) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is N-cyclobutyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-cyclobutyl-2,2,2-trifluoroacetamide
PubChem CID63710496
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC NameN-cyclobutyl-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCC1)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5(11)10-4-2-1-3-4/h4H,1-3H2,(H,10,11)
InChIKeyFIRMKFKJLCPRHL-UHFFFAOYSA-N
XLogP1.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-cyclobutyl-2,2,2-trifluoroacetamide (CID 63710496) is N-cyclobutyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-cyclobutyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-cyclobutyl-2,2,2-trifluoroacetamide is O=C(NC1CCC1)C(F)(F)F.
What is the InChIKey of N-cyclobutyl-2,2,2-trifluoroacetamide?
The InChIKey is FIRMKFKJLCPRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)5(11)10-4-2-1-3-4/h4H,1-3H2,(H,10,11).
What are the key properties of N-cyclobutyl-2,2,2-trifluoroacetamide?
N-cyclobutyl-2,2,2-trifluoroacetamide has a molecular weight of 167.13 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 63710496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).