N-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide

C11H18F3NO3 — CID 163294870

IUPACN-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide
SMILESCOCCOC1(C(F)(F)F)CCC(NC=O)CC1
InChIInChI=1S/C11H18F3NO3/c1-17-6-7-18-10(11(12,13)14)4-2-9(3-5-10)15-8-16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeySHKCUWVGUXAMQQ-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.64
Rot. Bonds6

About N-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide

N-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide (PubChem CID 163294870) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide
PubChem CID163294870
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC NameN-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide
SMILESCOCCOC1(C(F)(F)F)CCC(NC=O)CC1
InChIInChI=1S/C11H18F3NO3/c1-17-6-7-18-10(11(12,13)14)4-2-9(3-5-10)15-8-16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeySHKCUWVGUXAMQQ-UHFFFAOYSA-N
XLogP1.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide?
The IUPAC name of N-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide (CID 163294870) is N-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide is COCCOC1(C(F)(F)F)CCC(NC=O)CC1.
What is the InChIKey of N-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide?
The InChIKey is SHKCUWVGUXAMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-17-6-7-18-10(11(12,13)14)4-2-9(3-5-10)15-8-16/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of N-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide?
N-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide has a molecular weight of 269.26 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexyl]formamide is sourced from PubChem (CID 163294870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).