2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide

C17H24F6N2O2 — CID 2933914

IUPAC2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide
SMILESO=C(NC1CCC(CC2CCC(NC(=O)C(F)(F)F)CC2)CC1)C(F)(F)F
InChIInChI=1S/C17H24F6N2O2/c18-16(19,20)14(26)24-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)25-15(27)17(21,22)23/h10-13H,1-9H2,(H,24,26)(H,25,27)
InChIKeyPFZQWHDKMWMQFY-UHFFFAOYSA-N
MW402.38 g/mol
LogP3.85
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide

2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide (PubChem CID 2933914) has the molecular formula C17H24F6N2O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide
PubChem CID2933914
Molecular FormulaC17H24F6N2O2
Molecular Weight402.38 g/mol
Exact Mass402.17
IUPAC Name2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide
SMILESO=C(NC1CCC(CC2CCC(NC(=O)C(F)(F)F)CC2)CC1)C(F)(F)F
InChIInChI=1S/C17H24F6N2O2/c18-16(19,20)14(26)24-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)25-15(27)17(21,22)23/h10-13H,1-9H2,(H,24,26)(H,25,27)
InChIKeyPFZQWHDKMWMQFY-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide (CID 2933914) is 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide is O=C(NC1CCC(CC2CCC(NC(=O)C(F)(F)F)CC2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide?
The InChIKey is PFZQWHDKMWMQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F6N2O2/c18-16(19,20)14(26)24-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)25-15(27)17(21,22)23/h10-13H,1-9H2,(H,24,26)(H,25,27).
What are the key properties of 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide?
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide has a molecular weight of 402.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide is sourced from PubChem (CID 2933914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).