4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride

C9H15ClF3N — CID 86775403

IUPAC4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride
SMILESCl.NC12CCC(C(F)(F)F)(CC1)CC2
InChIInChI=1S/C9H14F3N.ClH/c10-9(11,12)7-1-4-8(13,5-2-7)6-3-7;/h1-6,13H2;1H
InChIKeyPTPQDAKVIDFFEU-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.02
Rot. Bonds

About 4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride

4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride (PubChem CID 86775403) has the molecular formula C9H15ClF3N and a molecular weight of 229.67 g/mol. Its IUPAC name is 4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride
PubChem CID86775403
Molecular FormulaC9H15ClF3N
Molecular Weight229.67 g/mol
Exact Mass229.08
IUPAC Name4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride
SMILESCl.NC12CCC(C(F)(F)F)(CC1)CC2
InChIInChI=1S/C9H14F3N.ClH/c10-9(11,12)7-1-4-8(13,5-2-7)6-3-7;/h1-6,13H2;1H
InChIKeyPTPQDAKVIDFFEU-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride?
The IUPAC name of 4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride (CID 86775403) is 4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride.
What is the SMILES notation for 4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride?
The canonical SMILES for 4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride is Cl.NC12CCC(C(F)(F)F)(CC1)CC2.
What is the InChIKey of 4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride?
The InChIKey is PTPQDAKVIDFFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N.ClH/c10-9(11,12)7-1-4-8(13,5-2-7)6-3-7;/h1-6,13H2;1H.
What are the key properties of 4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride?
4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride has a molecular weight of 229.67 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride is sourced from PubChem (CID 86775403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).