2,2,2-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C11H9F6NO — CID 18176503

IUPAC2,2,2-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C11H9F6NO/c12-10(13,14)8-3-1-2-7(6-8)4-5-18-9(19)11(15,16)17/h1-3,6H,4-5H2,(H,18,19)
InChIKeyCIDAKMBZNIINNA-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.93
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide

2,2,2-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 18176503) has the molecular formula C11H9F6NO and a molecular weight of 285.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID18176503
Molecular FormulaC11H9F6NO
Molecular Weight285.19 g/mol
Exact Mass285.06
IUPAC Name2,2,2-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C11H9F6NO/c12-10(13,14)8-3-1-2-7(6-8)4-5-18-9(19)11(15,16)17/h1-3,6H,4-5H2,(H,18,19)
InChIKeyCIDAKMBZNIINNA-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 18176503) is 2,2,2-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide is O=C(NCCc1cccc(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is CIDAKMBZNIINNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO/c12-10(13,14)8-3-1-2-7(6-8)4-5-18-9(19)11(15,16)17/h1-3,6H,4-5H2,(H,18,19).
What are the key properties of 2,2,2-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 285.19 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 18176503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).