N-[2-(trifluoromethoxy)ethyl]adamantan-2-amine

C13H20F3NO — CID 91654298

IUPACN-[2-(trifluoromethoxy)ethyl]adamantan-2-amine
SMILESFC(F)(F)OCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H20F3NO/c14-13(15,16)18-2-1-17-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,17H,1-7H2
InChIKeyHQFFNZZIRVXPKI-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.94
Rot. Bonds4

About N-[2-(trifluoromethoxy)ethyl]adamantan-2-amine

N-[2-(trifluoromethoxy)ethyl]adamantan-2-amine (PubChem CID 91654298) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)ethyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)ethyl]adamantan-2-amine
PubChem CID91654298
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC NameN-[2-(trifluoromethoxy)ethyl]adamantan-2-amine
SMILESFC(F)(F)OCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H20F3NO/c14-13(15,16)18-2-1-17-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,17H,1-7H2
InChIKeyHQFFNZZIRVXPKI-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)ethyl]adamantan-2-amine?
The IUPAC name of N-[2-(trifluoromethoxy)ethyl]adamantan-2-amine (CID 91654298) is N-[2-(trifluoromethoxy)ethyl]adamantan-2-amine.
What is the SMILES notation for N-[2-(trifluoromethoxy)ethyl]adamantan-2-amine?
The canonical SMILES for N-[2-(trifluoromethoxy)ethyl]adamantan-2-amine is FC(F)(F)OCCNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-(trifluoromethoxy)ethyl]adamantan-2-amine?
The InChIKey is HQFFNZZIRVXPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c14-13(15,16)18-2-1-17-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,17H,1-7H2.
What are the key properties of N-[2-(trifluoromethoxy)ethyl]adamantan-2-amine?
N-[2-(trifluoromethoxy)ethyl]adamantan-2-amine has a molecular weight of 263.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)ethyl]adamantan-2-amine is sourced from PubChem (CID 91654298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).