ethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide

C12H19F6N3O2 — CID 143665799

IUPACethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
SMILESCC.O=C(NCC1(NC(=O)C(F)(F)F)CCNCC1)C(F)(F)F
InChIInChI=1S/C10H13F6N3O2.C2H6/c11-9(12,13)6(20)18-5-8(1-3-17-4-2-8)19-7(21)10(14,15)16;1-2/h17H,1-5H2,(H,18,20)(H,19,21);1-2H3
InChIKeyPEEGKJZTRJYJDU-UHFFFAOYSA-N
MW351.29 g/mol
LogP1.49
Rot. Bonds3

About ethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide

ethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide (PubChem CID 143665799) has the molecular formula C12H19F6N3O2 and a molecular weight of 351.29 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
PubChem CID143665799
Molecular FormulaC12H19F6N3O2
Molecular Weight351.29 g/mol
Exact Mass351.14
IUPAC Nameethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
SMILESCC.O=C(NCC1(NC(=O)C(F)(F)F)CCNCC1)C(F)(F)F
InChIInChI=1S/C10H13F6N3O2.C2H6/c11-9(12,13)6(20)18-5-8(1-3-17-4-2-8)19-7(21)10(14,15)16;1-2/h17H,1-5H2,(H,18,20)(H,19,21);1-2H3
InChIKeyPEEGKJZTRJYJDU-UHFFFAOYSA-N
XLogP1.49
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide?
The IUPAC name of ethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide (CID 143665799) is ethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for ethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for ethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide is CC.O=C(NCC1(NC(=O)C(F)(F)F)CCNCC1)C(F)(F)F.
What is the InChIKey of ethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide?
The InChIKey is PEEGKJZTRJYJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6N3O2.C2H6/c11-9(12,13)6(20)18-5-8(1-3-17-4-2-8)19-7(21)10(14,15)16;1-2/h17H,1-5H2,(H,18,20)(H,19,21);1-2H3.
What are the key properties of ethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide?
ethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide has a molecular weight of 351.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 143665799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).