2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide

C6H12F3N3O — CID 54208340

IUPAC2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide
SMILESNCC(=O)NC(CF)C(F)(F)CN
InChIInChI=1S/C6H12F3N3O/c7-1-4(6(8,9)3-11)12-5(13)2-10/h4H,1-3,10-11H2,(H,12,13)
InChIKeyPUDHGGGMFUJOBG-UHFFFAOYSA-N
MW199.18 g/mol
LogP-1.01
Rot. Bonds5

About 2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide

2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide (PubChem CID 54208340) has the molecular formula C6H12F3N3O and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide
PubChem CID54208340
Molecular FormulaC6H12F3N3O
Molecular Weight199.18 g/mol
Exact Mass199.09
IUPAC Name2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide
SMILESNCC(=O)NC(CF)C(F)(F)CN
InChIInChI=1S/C6H12F3N3O/c7-1-4(6(8,9)3-11)12-5(13)2-10/h4H,1-3,10-11H2,(H,12,13)
InChIKeyPUDHGGGMFUJOBG-UHFFFAOYSA-N
XLogP-1.01
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide?
The IUPAC name of 2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide (CID 54208340) is 2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide.
What is the SMILES notation for 2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide?
The canonical SMILES for 2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide is NCC(=O)NC(CF)C(F)(F)CN.
What is the InChIKey of 2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide?
The InChIKey is PUDHGGGMFUJOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O/c7-1-4(6(8,9)3-11)12-5(13)2-10/h4H,1-3,10-11H2,(H,12,13).
What are the key properties of 2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide?
2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide has a molecular weight of 199.18 g/mol, XLogP of -1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide is sourced from PubChem (CID 54208340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).