4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide

C9H15F3N2O — CID 162584021

IUPAC4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide
SMILESCC(CCC1C(N)C1C(F)(F)F)C(N)=O
InChIInChI=1S/C9H15F3N2O/c1-4(8(14)15)2-3-5-6(7(5)13)9(10,11)12/h4-7H,2-3,13H2,1H3,(H2,14,15)
InChIKeyFUSQVLISYNSZCB-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.02
Rot. Bonds4

About 4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide

4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide (PubChem CID 162584021) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide
PubChem CID162584021
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide
SMILESCC(CCC1C(N)C1C(F)(F)F)C(N)=O
InChIInChI=1S/C9H15F3N2O/c1-4(8(14)15)2-3-5-6(7(5)13)9(10,11)12/h4-7H,2-3,13H2,1H3,(H2,14,15)
InChIKeyFUSQVLISYNSZCB-UHFFFAOYSA-N
XLogP1.02
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide?
The IUPAC name of 4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide (CID 162584021) is 4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide.
What is the SMILES notation for 4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide?
The canonical SMILES for 4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide is CC(CCC1C(N)C1C(F)(F)F)C(N)=O.
What is the InChIKey of 4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide?
The InChIKey is FUSQVLISYNSZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-4(8(14)15)2-3-5-6(7(5)13)9(10,11)12/h4-7H,2-3,13H2,1H3,(H2,14,15).
What are the key properties of 4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide?
4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide has a molecular weight of 224.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide is sourced from PubChem (CID 162584021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).