N-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide

C8H12F3NO — CID 144988825

IUPACN-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(C(=O)CC(F)(F)F)C1CCC1
InChIInChI=1S/C8H12F3NO/c1-12(6-3-2-4-6)7(13)5-8(9,10)11/h6H,2-5H2,1H3
InChIKeyPDXFLGKTZSTMRK-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.95
Rot. Bonds2

About N-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide

N-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 144988825) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide
PubChem CID144988825
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(C(=O)CC(F)(F)F)C1CCC1
InChIInChI=1S/C8H12F3NO/c1-12(6-3-2-4-6)7(13)5-8(9,10)11/h6H,2-5H2,1H3
InChIKeyPDXFLGKTZSTMRK-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide?
The IUPAC name of N-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide (CID 144988825) is N-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide.
What is the SMILES notation for N-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide?
The canonical SMILES for N-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide is CN(C(=O)CC(F)(F)F)C1CCC1.
What is the InChIKey of N-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide?
The InChIKey is PDXFLGKTZSTMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-12(6-3-2-4-6)7(13)5-8(9,10)11/h6H,2-5H2,1H3.
What are the key properties of N-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide?
N-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 195.18 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 144988825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).