2-(trifluoromethyl)adamantan-2-amine

C11H16F3N — CID 51036591

IUPAC2-(trifluoromethyl)adamantan-2-amine
SMILESNC1(C(F)(F)F)C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H16F3N/c12-11(13,14)10(15)8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5,15H2
InChIKeyRNKUSGIYKOEMLP-UHFFFAOYSA-N
MW219.25 g/mol
LogP2.70
Rot. Bonds

About 2-(trifluoromethyl)adamantan-2-amine

2-(trifluoromethyl)adamantan-2-amine (PubChem CID 51036591) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-(trifluoromethyl)adamantan-2-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)adamantan-2-amine
PubChem CID51036591
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name2-(trifluoromethyl)adamantan-2-amine
SMILESNC1(C(F)(F)F)C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H16F3N/c12-11(13,14)10(15)8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5,15H2
InChIKeyRNKUSGIYKOEMLP-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)adamantan-2-amine?
The IUPAC name of 2-(trifluoromethyl)adamantan-2-amine (CID 51036591) is 2-(trifluoromethyl)adamantan-2-amine.
What is the SMILES notation for 2-(trifluoromethyl)adamantan-2-amine?
The canonical SMILES for 2-(trifluoromethyl)adamantan-2-amine is NC1(C(F)(F)F)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(trifluoromethyl)adamantan-2-amine?
The InChIKey is RNKUSGIYKOEMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c12-11(13,14)10(15)8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5,15H2.
What are the key properties of 2-(trifluoromethyl)adamantan-2-amine?
2-(trifluoromethyl)adamantan-2-amine has a molecular weight of 219.25 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)adamantan-2-amine is sourced from PubChem (CID 51036591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).