2-cyclopropyl-3-[3-(trifluoromethyl)cyclobutyl]propanamide

C11H16F3NO — CID 177043284

IUPAC2-cyclopropyl-3-[3-(trifluoromethyl)cyclobutyl]propanamide
SMILESNC(=O)C(CC1CC(C(F)(F)F)C1)C1CC1
InChIInChI=1S/C11H16F3NO/c12-11(13,14)8-3-6(4-8)5-9(10(15)16)7-1-2-7/h6-9H,1-5H2,(H2,15,16)
InChIKeyKLMWIBHWTZFUKS-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.48
Rot. Bonds4

About 2-cyclopropyl-3-[3-(trifluoromethyl)cyclobutyl]propanamide

2-cyclopropyl-3-[3-(trifluoromethyl)cyclobutyl]propanamide (PubChem CID 177043284) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-cyclopropyl-3-[3-(trifluoromethyl)cyclobutyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-[3-(trifluoromethyl)cyclobutyl]propanamide
PubChem CID177043284
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2-cyclopropyl-3-[3-(trifluoromethyl)cyclobutyl]propanamide
SMILESNC(=O)C(CC1CC(C(F)(F)F)C1)C1CC1
InChIInChI=1S/C11H16F3NO/c12-11(13,14)8-3-6(4-8)5-9(10(15)16)7-1-2-7/h6-9H,1-5H2,(H2,15,16)
InChIKeyKLMWIBHWTZFUKS-UHFFFAOYSA-N
XLogP2.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[3-(trifluoromethyl)cyclobutyl]propanamide?
The IUPAC name of 2-cyclopropyl-3-[3-(trifluoromethyl)cyclobutyl]propanamide (CID 177043284) is 2-cyclopropyl-3-[3-(trifluoromethyl)cyclobutyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-3-[3-(trifluoromethyl)cyclobutyl]propanamide?
The canonical SMILES for 2-cyclopropyl-3-[3-(trifluoromethyl)cyclobutyl]propanamide is NC(=O)C(CC1CC(C(F)(F)F)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[3-(trifluoromethyl)cyclobutyl]propanamide?
The InChIKey is KLMWIBHWTZFUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c12-11(13,14)8-3-6(4-8)5-9(10(15)16)7-1-2-7/h6-9H,1-5H2,(H2,15,16).
What are the key properties of 2-cyclopropyl-3-[3-(trifluoromethyl)cyclobutyl]propanamide?
2-cyclopropyl-3-[3-(trifluoromethyl)cyclobutyl]propanamide has a molecular weight of 235.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[3-(trifluoromethyl)cyclobutyl]propanamide is sourced from PubChem (CID 177043284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).