2,2,2-trifluoro-N-propan-2-yl-N-propylacetamide

C8H14F3NO — CID 539385

IUPAC2,2,2-trifluoro-N-propan-2-yl-N-propylacetamide
SMILESCCCN(C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C8H14F3NO/c1-4-5-12(6(2)3)7(13)8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyMOSFINOKPXOMHJ-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.20
Rot. Bonds3

About 2,2,2-trifluoro-N-propan-2-yl-N-propylacetamide

2,2,2-trifluoro-N-propan-2-yl-N-propylacetamide (PubChem CID 539385) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-propan-2-yl-N-propylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-propan-2-yl-N-propylacetamide
PubChem CID539385
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2,2,2-trifluoro-N-propan-2-yl-N-propylacetamide
SMILESCCCN(C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C8H14F3NO/c1-4-5-12(6(2)3)7(13)8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyMOSFINOKPXOMHJ-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-propan-2-yl-N-propylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-propan-2-yl-N-propylacetamide (CID 539385) is 2,2,2-trifluoro-N-propan-2-yl-N-propylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-propan-2-yl-N-propylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-propan-2-yl-N-propylacetamide is CCCN(C(=O)C(F)(F)F)C(C)C.
What is the InChIKey of 2,2,2-trifluoro-N-propan-2-yl-N-propylacetamide?
The InChIKey is MOSFINOKPXOMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-4-5-12(6(2)3)7(13)8(9,10)11/h6H,4-5H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-propan-2-yl-N-propylacetamide?
2,2,2-trifluoro-N-propan-2-yl-N-propylacetamide has a molecular weight of 197.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-propan-2-yl-N-propylacetamide is sourced from PubChem (CID 539385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).