N-butyl-2,2,2-trifluoro-N-methylacetamide

C7H12F3NO — CID 587692

IUPACN-butyl-2,2,2-trifluoro-N-methylacetamide
SMILESCCCCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-3-4-5-11(2)6(12)7(8,9)10/h3-5H2,1-2H3
InChIKeyYUWKPIVNGHIKDU-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.81
Rot. Bonds3

About N-butyl-2,2,2-trifluoro-N-methylacetamide

N-butyl-2,2,2-trifluoro-N-methylacetamide (PubChem CID 587692) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-butyl-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2,2,2-trifluoro-N-methylacetamide
PubChem CID587692
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-butyl-2,2,2-trifluoro-N-methylacetamide
SMILESCCCCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-3-4-5-11(2)6(12)7(8,9)10/h3-5H2,1-2H3
InChIKeyYUWKPIVNGHIKDU-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-butyl-2,2,2-trifluoro-N-methylacetamide (CID 587692) is N-butyl-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-butyl-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-butyl-2,2,2-trifluoro-N-methylacetamide is CCCCN(C)C(=O)C(F)(F)F.
What is the InChIKey of N-butyl-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is YUWKPIVNGHIKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-3-4-5-11(2)6(12)7(8,9)10/h3-5H2,1-2H3.
What are the key properties of N-butyl-2,2,2-trifluoro-N-methylacetamide?
N-butyl-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 183.17 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 587692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).