2-(trifluoromethyl)adamantan-2-amine;hydrochloride

C11H17ClF3N — CID 173034516

IUPAC2-(trifluoromethyl)adamantan-2-amine;hydrochloride
SMILESCl.NC1(C(F)(F)F)C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H16F3N.ClH/c12-11(13,14)10(15)8-2-6-1-7(4-8)5-9(10)3-6;/h6-9H,1-5,15H2;1H
InChIKeyKRZHJFFMSWPGMS-UHFFFAOYSA-N
MW255.71 g/mol
LogP3.12
Rot. Bonds

About 2-(trifluoromethyl)adamantan-2-amine;hydrochloride

2-(trifluoromethyl)adamantan-2-amine;hydrochloride (PubChem CID 173034516) has the molecular formula C11H17ClF3N and a molecular weight of 255.71 g/mol. Its IUPAC name is 2-(trifluoromethyl)adamantan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)adamantan-2-amine;hydrochloride
PubChem CID173034516
Molecular FormulaC11H17ClF3N
Molecular Weight255.71 g/mol
Exact Mass255.10
IUPAC Name2-(trifluoromethyl)adamantan-2-amine;hydrochloride
SMILESCl.NC1(C(F)(F)F)C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H16F3N.ClH/c12-11(13,14)10(15)8-2-6-1-7(4-8)5-9(10)3-6;/h6-9H,1-5,15H2;1H
InChIKeyKRZHJFFMSWPGMS-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethyladamantan-2-amine
CID 4691950
2-Butyladamantan-2-amine
CID 13158052
2-Amino-2-methyladamantane
CID 23008682
2-Propyladamantan-2-amine
CID 44562807
2-(2-Methylpropyl)adamantan-2-amine
CID 90318849
2-Hexyladamantan-2-amine
CID 90681190
2-Methyladamantan-2-amine hydrochloride
CID 44562804
2-Ethyladamantan-2-amine;hydrochloride
CID 44562805
2-Propyladamantan-2-amine;hydrochloride
CID 44562806
2-Methyladamantan-1-amine hydrochloride
CID 129754497
2-(Trifluoromethyl)adamantan-2-amine
CID 51036591
4-Fluoro-4-methyladamantan-1-amine
CID 51038884

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)adamantan-2-amine;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)adamantan-2-amine;hydrochloride (CID 173034516) is 2-(trifluoromethyl)adamantan-2-amine;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)adamantan-2-amine;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)adamantan-2-amine;hydrochloride is Cl.NC1(C(F)(F)F)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(trifluoromethyl)adamantan-2-amine;hydrochloride?
The InChIKey is KRZHJFFMSWPGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N.ClH/c12-11(13,14)10(15)8-2-6-1-7(4-8)5-9(10)3-6;/h6-9H,1-5,15H2;1H.
What are the key properties of 2-(trifluoromethyl)adamantan-2-amine;hydrochloride?
2-(trifluoromethyl)adamantan-2-amine;hydrochloride has a molecular weight of 255.71 g/mol, XLogP of 3.12, 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;hydrochloride is sourced from PubChem (CID 173034516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).