2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

C10H13F6NO2 — CID 62729341

IUPAC2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESO=C(NC1CCCC(OCC(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H13F6NO2/c11-9(12,13)5-19-7-3-1-2-6(4-7)17-8(18)10(14,15)16/h6-7H,1-5H2,(H,17,18)
InChIKeyJTOLKDWHPCSQPS-UHFFFAOYSA-N
MW293.21 g/mol
LogP2.56
Rot. Bonds3

About 2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (PubChem CID 62729341) has the molecular formula C10H13F6NO2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
PubChem CID62729341
Molecular FormulaC10H13F6NO2
Molecular Weight293.21 g/mol
Exact Mass293.09
IUPAC Name2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESO=C(NC1CCCC(OCC(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H13F6NO2/c11-9(12,13)5-19-7-3-1-2-6(4-7)17-8(18)10(14,15)16/h6-7H,1-5H2,(H,17,18)
InChIKeyJTOLKDWHPCSQPS-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (CID 62729341) is 2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is O=C(NC1CCCC(OCC(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The InChIKey is JTOLKDWHPCSQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO2/c11-9(12,13)5-19-7-3-1-2-6(4-7)17-8(18)10(14,15)16/h6-7H,1-5H2,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide has a molecular weight of 293.21 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is sourced from PubChem (CID 62729341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).