N-(1-adamantyloxy)-1,1,1-trifluoromethanamine

C11H16F3NO — CID 134892031

IUPACN-(1-adamantyloxy)-1,1,1-trifluoromethanamine
SMILESFC(F)(F)NOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H16F3NO/c12-11(13,14)15-16-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,15H,1-6H2
InChIKeyWLKGYYODAUKBEV-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.00
Rot. Bonds2

About N-(1-adamantyloxy)-1,1,1-trifluoromethanamine

N-(1-adamantyloxy)-1,1,1-trifluoromethanamine (PubChem CID 134892031) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(1-adamantyloxy)-1,1,1-trifluoromethanamine.

Molecular Properties

Compound NameN-(1-adamantyloxy)-1,1,1-trifluoromethanamine
PubChem CID134892031
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-(1-adamantyloxy)-1,1,1-trifluoromethanamine
SMILESFC(F)(F)NOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H16F3NO/c12-11(13,14)15-16-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,15H,1-6H2
InChIKeyWLKGYYODAUKBEV-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-adamantyloxy)formamide
CID 54075706
N-(1-adamantyloxy)acetamide
CID 87737951
1-methoxyadamantane
CID 584854
2-(1-adamantyloxy)-2,2-difluoroacetate
CID 162451011
2-(1-adamantyloxy)-2,2-difluoro-N-methylsulfonylethanesulfonamide
CID 70808370
1-prop-2-ynoxyadamantane
CID 10420045
[2-(1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] 2,2-dimethylpropanoate
CID 130411405
1-adamantylmethyl N-(trifluoromethyl)sulfamate
CID 130207421
N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide
CID 102055809
3-(1-adamantyloxy)-1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid
CID 89040622
3-(1-adamantyloxy)-1,1,2,2-tetrafluoro-3-oxopropane-1-sulfonate
CID 155657111
1-adamantyl 2,2-difluoroacetate
CID 58225853

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyloxy)-1,1,1-trifluoromethanamine?
The IUPAC name of N-(1-adamantyloxy)-1,1,1-trifluoromethanamine (CID 134892031) is N-(1-adamantyloxy)-1,1,1-trifluoromethanamine.
What is the SMILES notation for N-(1-adamantyloxy)-1,1,1-trifluoromethanamine?
The canonical SMILES for N-(1-adamantyloxy)-1,1,1-trifluoromethanamine is FC(F)(F)NOC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyloxy)-1,1,1-trifluoromethanamine?
The InChIKey is WLKGYYODAUKBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c12-11(13,14)15-16-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,15H,1-6H2.
What are the key properties of N-(1-adamantyloxy)-1,1,1-trifluoromethanamine?
N-(1-adamantyloxy)-1,1,1-trifluoromethanamine has a molecular weight of 235.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyloxy)-1,1,1-trifluoromethanamine is sourced from PubChem (CID 134892031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).