2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide

C10H16F3NO2 — CID 58896631

IUPAC2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide
SMILESCOC1CCC(N(C)C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-14(9(15)10(11,12)13)7-3-5-8(16-2)6-4-7/h7-8H,3-6H2,1-2H3
InChIKeyRHSDGJJBRXOPST-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.96
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide

2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide (PubChem CID 58896631) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide
PubChem CID58896631
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide
SMILESCOC1CCC(N(C)C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-14(9(15)10(11,12)13)7-3-5-8(16-2)6-4-7/h7-8H,3-6H2,1-2H3
InChIKeyRHSDGJJBRXOPST-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide (CID 58896631) is 2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide is COC1CCC(N(C)C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide?
The InChIKey is RHSDGJJBRXOPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-14(9(15)10(11,12)13)7-3-5-8(16-2)6-4-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide?
2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide has a molecular weight of 239.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 58896631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).