N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide

C10H16F3NO — CID 126792226

IUPACN-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESCNC(=O)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO/c1-14-9(15)6-7-2-4-8(5-3-7)10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeySVQGPALBLPTPEI-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.49
Rot. Bonds2

About N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide

N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 126792226) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID126792226
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC NameN-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESCNC(=O)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO/c1-14-9(15)6-7-2-4-8(5-3-7)10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeySVQGPALBLPTPEI-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 126792226) is N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide is CNC(=O)CC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is SVQGPALBLPTPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-14-9(15)6-7-2-4-8(5-3-7)10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 223.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 126792226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).