N-(2,2,2-trifluoroethoxy)adamantan-2-amine

C12H18F3NO — CID 82710674

IUPACN-(2,2,2-trifluoroethoxy)adamantan-2-amine
SMILESFC(F)(F)CONC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H18F3NO/c13-12(14,15)6-17-16-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11,16H,1-6H2
InChIKeyIQLGIEIKZGNIBB-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.89
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)adamantan-2-amine

N-(2,2,2-trifluoroethoxy)adamantan-2-amine (PubChem CID 82710674) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)adamantan-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)adamantan-2-amine
PubChem CID82710674
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC NameN-(2,2,2-trifluoroethoxy)adamantan-2-amine
SMILESFC(F)(F)CONC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H18F3NO/c13-12(14,15)6-17-16-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11,16H,1-6H2
InChIKeyIQLGIEIKZGNIBB-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-adamantyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710899
2-cyclohexyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82711226
2,4-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82711920
N-methoxyadamantan-2-amine
CID 15552593
N-ethoxyadamantan-2-amine
CID 82709877
N-(2-methylpropoxy)adamantan-2-amine
CID 82711549
N-(2-methoxyethoxy)adamantan-2-amine
CID 82714427

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)adamantan-2-amine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)adamantan-2-amine (CID 82710674) is N-(2,2,2-trifluoroethoxy)adamantan-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)adamantan-2-amine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)adamantan-2-amine is FC(F)(F)CONC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)adamantan-2-amine?
The InChIKey is IQLGIEIKZGNIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO/c13-12(14,15)6-17-16-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11,16H,1-6H2.
What are the key properties of N-(2,2,2-trifluoroethoxy)adamantan-2-amine?
N-(2,2,2-trifluoroethoxy)adamantan-2-amine has a molecular weight of 249.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)adamantan-2-amine is sourced from PubChem (CID 82710674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).