1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide

C12H16F6N2O2 — CID 51095171

IUPAC1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide
SMILESO=C(NCC(F)(F)F)C1CCCC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C12H16F6N2O2/c13-11(14,15)5-19-9(21)7-2-1-3-8(4-7)10(22)20-6-12(16,17)18/h7-8H,1-6H2,(H,19,21)(H,20,22)
InChIKeyBITYYOUVDOLMNN-UHFFFAOYSA-N
MW334.26 g/mol
LogP2.15
Rot. Bonds4

About 1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide

1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide (PubChem CID 51095171) has the molecular formula C12H16F6N2O2 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide
PubChem CID51095171
Molecular FormulaC12H16F6N2O2
Molecular Weight334.26 g/mol
Exact Mass334.11
IUPAC Name1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide
SMILESO=C(NCC(F)(F)F)C1CCCC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C12H16F6N2O2/c13-11(14,15)5-19-9(21)7-2-1-3-8(4-7)10(22)20-6-12(16,17)18/h7-8H,1-6H2,(H,19,21)(H,20,22)
InChIKeyBITYYOUVDOLMNN-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide (CID 51095171) is 1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide is O=C(NCC(F)(F)F)C1CCCC(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide?
The InChIKey is BITYYOUVDOLMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F6N2O2/c13-11(14,15)5-19-9(21)7-2-1-3-8(4-7)10(22)20-6-12(16,17)18/h7-8H,1-6H2,(H,19,21)(H,20,22).
What are the key properties of 1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide?
1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide has a molecular weight of 334.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide is sourced from PubChem (CID 51095171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).