2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-cyclopropylacetamide

C10H18F3N3O — CID 43753158

IUPAC2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)C(CCN)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-16(6-9(17)15-7-2-3-7)8(4-5-14)10(11,12)13/h7-8H,2-6,14H2,1H3,(H,15,17)
InChIKeyIGQHHYYHFWWEFG-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.48
Rot. Bonds6

About 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-cyclopropylacetamide

2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-cyclopropylacetamide (PubChem CID 43753158) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-cyclopropylacetamide
PubChem CID43753158
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)C(CCN)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-16(6-9(17)15-7-2-3-7)8(4-5-14)10(11,12)13/h7-8H,2-6,14H2,1H3,(H,15,17)
InChIKeyIGQHHYYHFWWEFG-UHFFFAOYSA-N
XLogP0.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-cyclopropylacetamide (CID 43753158) is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)C(CCN)C(F)(F)F.
What is the InChIKey of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-cyclopropylacetamide?
The InChIKey is IGQHHYYHFWWEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-16(6-9(17)15-7-2-3-7)8(4-5-14)10(11,12)13/h7-8H,2-6,14H2,1H3,(H,15,17).
What are the key properties of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-cyclopropylacetamide?
2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-cyclopropylacetamide has a molecular weight of 253.27 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 43753158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).