2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide

C14H20F6N2O2 — CID 1014515

IUPAC2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide
SMILESCC1(C)C[C@H](NC(=O)C(F)(F)F)C[C@@](C)(CNC(=O)C(F)(F)F)C1
InChIInChI=1S/C14H20F6N2O2/c1-11(2)4-8(22-10(24)14(18,19)20)5-12(3,6-11)7-21-9(23)13(15,16)17/h8H,4-7H2,1-3H3,(H,21,23)(H,22,24)/t8-,12+/m0/s1
InChIKeyYOWHANNOAAEALQ-QPUJVOFHSA-N
MW362.31 g/mol
LogP2.93
Rot. Bonds3

About 2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide

2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide (PubChem CID 1014515) has the molecular formula C14H20F6N2O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide
PubChem CID1014515
Molecular FormulaC14H20F6N2O2
Molecular Weight362.31 g/mol
Exact Mass362.14
IUPAC Name2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide
SMILESCC1(C)C[C@H](NC(=O)C(F)(F)F)C[C@@](C)(CNC(=O)C(F)(F)F)C1
InChIInChI=1S/C14H20F6N2O2/c1-11(2)4-8(22-10(24)14(18,19)20)5-12(3,6-11)7-21-9(23)13(15,16)17/h8H,4-7H2,1-3H3,(H,21,23)(H,22,24)/t8-,12+/m0/s1
InChIKeyYOWHANNOAAEALQ-QPUJVOFHSA-N
XLogP2.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 52.93
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-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide (CID 1014515) is 2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide is CC1(C)C[C@H](NC(=O)C(F)(F)F)C[C@@](C)(CNC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide?
The InChIKey is YOWHANNOAAEALQ-QPUJVOFHSA-N. The full InChI is InChI=1S/C14H20F6N2O2/c1-11(2)4-8(22-10(24)14(18,19)20)5-12(3,6-11)7-21-9(23)13(15,16)17/h8H,4-7H2,1-3H3,(H,21,23)(H,22,24)/t8-,12+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide?
2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide has a molecular weight of 362.31 g/mol, XLogP of 2.93, 3 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-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 1014515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).