N-[4-(trifluoromethoxy)cyclohexyl]acetamide

C9H14F3NO2 — CID 126663694

IUPACN-[4-(trifluoromethoxy)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-6(14)13-7-2-4-8(5-3-7)15-9(10,11)12/h7-8H,2-5H2,1H3,(H,13,14)
InChIKeyFXTRKOYOXBPHLB-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.97
Rot. Bonds2

About N-[4-(trifluoromethoxy)cyclohexyl]acetamide

N-[4-(trifluoromethoxy)cyclohexyl]acetamide (PubChem CID 126663694) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)cyclohexyl]acetamide
PubChem CID126663694
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-[4-(trifluoromethoxy)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-6(14)13-7-2-4-8(5-3-7)15-9(10,11)12/h7-8H,2-5H2,1H3,(H,13,14)
InChIKeyFXTRKOYOXBPHLB-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)cyclohexyl]acetamide?
The IUPAC name of N-[4-(trifluoromethoxy)cyclohexyl]acetamide (CID 126663694) is N-[4-(trifluoromethoxy)cyclohexyl]acetamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)cyclohexyl]acetamide?
The canonical SMILES for N-[4-(trifluoromethoxy)cyclohexyl]acetamide is CC(=O)NC1CCC(OC(F)(F)F)CC1.
What is the InChIKey of N-[4-(trifluoromethoxy)cyclohexyl]acetamide?
The InChIKey is FXTRKOYOXBPHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-6(14)13-7-2-4-8(5-3-7)15-9(10,11)12/h7-8H,2-5H2,1H3,(H,13,14).
What are the key properties of N-[4-(trifluoromethoxy)cyclohexyl]acetamide?
N-[4-(trifluoromethoxy)cyclohexyl]acetamide has a molecular weight of 225.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)cyclohexyl]acetamide is sourced from PubChem (CID 126663694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).