N-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide

C13H15F4NO — CID 56822287

IUPACN-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESCCN(CCC(F)(F)F)C(=O)Cc1ccccc1F
InChIInChI=1S/C13H15F4NO/c1-2-18(8-7-13(15,16)17)12(19)9-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3
InChIKeyPAKYSCBQNSCVOG-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.17
Rot. Bonds5

About N-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide

N-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 56822287) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID56822287
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC NameN-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESCCN(CCC(F)(F)F)C(=O)Cc1ccccc1F
InChIInChI=1S/C13H15F4NO/c1-2-18(8-7-13(15,16)17)12(19)9-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3
InChIKeyPAKYSCBQNSCVOG-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide (CID 56822287) is N-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide is CCN(CCC(F)(F)F)C(=O)Cc1ccccc1F.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is PAKYSCBQNSCVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-2-18(8-7-13(15,16)17)12(19)9-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide?
N-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 277.26 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 56822287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).