1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol

C16H20F3NO — CID 11120097

IUPAC1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol
SMILESCc1cccc(C)c1/N=C(\C(F)(F)F)C1(O)CCCCC1
InChIInChI=1S/C16H20F3NO/c1-11-7-6-8-12(2)13(11)20-14(16(17,18)19)15(21)9-4-3-5-10-15/h6-8,21H,3-5,9-10H2,1-2H3/b20-14-
InChIKeyNLQVOGQYOHUPAE-ZHZULCJRSA-N
MW299.34 g/mol
LogP4.63
Rot. Bonds2

About 1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol

1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol (PubChem CID 11120097) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol
PubChem CID11120097
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol
SMILESCc1cccc(C)c1/N=C(\C(F)(F)F)C1(O)CCCCC1
InChIInChI=1S/C16H20F3NO/c1-11-7-6-8-12(2)13(11)20-14(16(17,18)19)15(21)9-4-3-5-10-15/h6-8,21H,3-5,9-10H2,1-2H3/b20-14-
InChIKeyNLQVOGQYOHUPAE-ZHZULCJRSA-N
XLogP4.63
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol?
The IUPAC name of 1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol (CID 11120097) is 1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol?
The canonical SMILES for 1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol is Cc1cccc(C)c1/N=C(\C(F)(F)F)C1(O)CCCCC1.
What is the InChIKey of 1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol?
The InChIKey is NLQVOGQYOHUPAE-ZHZULCJRSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-11-7-6-8-12(2)13(11)20-14(16(17,18)19)15(21)9-4-3-5-10-15/h6-8,21H,3-5,9-10H2,1-2H3/b20-14-.
What are the key properties of 1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol?
1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol has a molecular weight of 299.34 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol is sourced from PubChem (CID 11120097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).