N-butan-2-yl-2,2,2-trifluoroacetamide

C6H10F3NO — CID 587638

IUPACN-butan-2-yl-2,2,2-trifluoroacetamide
SMILESCCC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-3-4(2)10-5(11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyMOAMIZJDECJMPD-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.46
Rot. Bonds2

About N-butan-2-yl-2,2,2-trifluoroacetamide

N-butan-2-yl-2,2,2-trifluoroacetamide (PubChem CID 587638) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is N-butan-2-yl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2,2,2-trifluoroacetamide
PubChem CID587638
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC NameN-butan-2-yl-2,2,2-trifluoroacetamide
SMILESCCC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-3-4(2)10-5(11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyMOAMIZJDECJMPD-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,2,2-trifluoroacetamide?
The IUPAC name of N-butan-2-yl-2,2,2-trifluoroacetamide (CID 587638) is N-butan-2-yl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-butan-2-yl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-butan-2-yl-2,2,2-trifluoroacetamide is CCC(C)NC(=O)C(F)(F)F.
What is the InChIKey of N-butan-2-yl-2,2,2-trifluoroacetamide?
The InChIKey is MOAMIZJDECJMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-3-4(2)10-5(11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of N-butan-2-yl-2,2,2-trifluoroacetamide?
N-butan-2-yl-2,2,2-trifluoroacetamide has a molecular weight of 169.15 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 587638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).