N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine

C12H22F3NO — CID 60732959

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine
SMILESFC(F)(F)COCCNC1CCCCCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-17-9-8-16-11-6-4-2-1-3-5-7-11/h11,16H,1-10H2
InChIKeyVETQRMQKJITGNN-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine

N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine (PubChem CID 60732959) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine
PubChem CID60732959
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine
SMILESFC(F)(F)COCCNC1CCCCCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-17-9-8-16-11-6-4-2-1-3-5-7-11/h11,16H,1-10H2
InChIKeyVETQRMQKJITGNN-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(2,2,2-trifluoroethoxy)propyl]octan-2-amine
CID 54961715
N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine
CID 55093006
N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptanamine
CID 60732956
N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentanamine
CID 60732957
N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexanamine
CID 60732958
N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-1-amine
CID 60733442
N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 61490531
N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine
CID 61490683
N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 61492743
N-methyl-2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine
CID 61755302
N-ethyl-2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine
CID 61756098
N-propyl-2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine
CID 61756906

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine (CID 60732959) is N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine is FC(F)(F)COCCNC1CCCCCCC1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine?
The InChIKey is VETQRMQKJITGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c13-12(14,15)10-17-9-8-16-11-6-4-2-1-3-5-7-11/h11,16H,1-10H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine has a molecular weight of 253.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine is sourced from PubChem (CID 60732959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).