N-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide

C6H11F3N2O — CID 59105658

IUPACN-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(CCN)NC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-4(2-3-10)11-5(12)6(7,8)9/h4H,2-3,10H2,1H3,(H,11,12)
InChIKeyUECJRBUWMHMVLU-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.40
Rot. Bonds3

About N-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide

N-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 59105658) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide
PubChem CID59105658
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC NameN-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(CCN)NC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-4(2-3-10)11-5(12)6(7,8)9/h4H,2-3,10H2,1H3,(H,11,12)
InChIKeyUECJRBUWMHMVLU-UHFFFAOYSA-N
XLogP0.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide (CID 59105658) is N-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide is CC(CCN)NC(=O)C(F)(F)F.
What is the InChIKey of N-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is UECJRBUWMHMVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-4(2-3-10)11-5(12)6(7,8)9/h4H,2-3,10H2,1H3,(H,11,12).
What are the key properties of N-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide?
N-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 184.16 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59105658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).