N-propyl-N-(2,2,2-trifluoroethyl)acetamide

C7H12F3NO — CID 60756977

IUPACN-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(C)=O
InChIInChI=1S/C7H12F3NO/c1-3-4-11(6(2)12)5-7(8,9)10/h3-5H2,1-2H3
InChIKeyAOYWYJONYGWNCB-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.81
Rot. Bonds3

About N-propyl-N-(2,2,2-trifluoroethyl)acetamide

N-propyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60756977) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-propyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-propyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60756977
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(C)=O
InChIInChI=1S/C7H12F3NO/c1-3-4-11(6(2)12)5-7(8,9)10/h3-5H2,1-2H3
InChIKeyAOYWYJONYGWNCB-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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Related Compounds

(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146661
(2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164894
3,3-dimethyl-2-[propyl(2,2,2-trifluoroethyl)carbamoyl]butanoic acid
CID 116536982
2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948916
N-ethyl-N-propylacetamide;methane;propane
CID 161155898
N-(2-oxopropyl)-N-propylacetamide
CID 88778030
1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096473
2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79473764
3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 79788611
3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655133
2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 107438469
2-[acetyl(propyl)amino]acetic acid
CID 23279438

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)acetamide (CID 60756977) is N-propyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-propyl-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CC(F)(F)F)C(C)=O.
What is the InChIKey of N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AOYWYJONYGWNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-3-4-11(6(2)12)5-7(8,9)10/h3-5H2,1-2H3.
What are the key properties of N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
N-propyl-N-(2,2,2-trifluoroethyl)acetamide 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-propyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60756977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).