3-(trifluoromethyl)adamantan-1-amine

C11H16F3N — CID 3710256

IUPAC3-(trifluoromethyl)adamantan-1-amine
SMILESNC12CC3CC(C1)CC(C(F)(F)F)(C3)C2
InChIInChI=1S/C11H16F3N/c12-11(13,14)9-2-7-1-8(3-9)5-10(15,4-7)6-9/h7-8H,1-6,15H2
InChIKeyHRSPHBYURWVDMU-UHFFFAOYSA-N
MW219.25 g/mol
LogP2.85
Rot. Bonds

About 3-(trifluoromethyl)adamantan-1-amine

3-(trifluoromethyl)adamantan-1-amine (PubChem CID 3710256) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-(trifluoromethyl)adamantan-1-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)adamantan-1-amine
PubChem CID3710256
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name3-(trifluoromethyl)adamantan-1-amine
SMILESNC12CC3CC(C1)CC(C(F)(F)F)(C3)C2
InChIInChI=1S/C11H16F3N/c12-11(13,14)9-2-7-1-8(3-9)5-10(15,4-7)6-9/h7-8H,1-6,15H2
InChIKeyHRSPHBYURWVDMU-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)adamantan-1-amine?
The IUPAC name of 3-(trifluoromethyl)adamantan-1-amine (CID 3710256) is 3-(trifluoromethyl)adamantan-1-amine.
What is the SMILES notation for 3-(trifluoromethyl)adamantan-1-amine?
The canonical SMILES for 3-(trifluoromethyl)adamantan-1-amine is NC12CC3CC(C1)CC(C(F)(F)F)(C3)C2.
What is the InChIKey of 3-(trifluoromethyl)adamantan-1-amine?
The InChIKey is HRSPHBYURWVDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c12-11(13,14)9-2-7-1-8(3-9)5-10(15,4-7)6-9/h7-8H,1-6,15H2.
What are the key properties of 3-(trifluoromethyl)adamantan-1-amine?
3-(trifluoromethyl)adamantan-1-amine has a molecular weight of 219.25 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)adamantan-1-amine is sourced from PubChem (CID 3710256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).