4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride

C7H13ClF3N — CID 18769922

IUPAC4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H12F3N.ClH/c8-7(9,10)5-1-3-6(11)4-2-5;/h5-6H,1-4,11H2;1H
InChIKeyXGJNSCILISPYRX-UHFFFAOYSA-N
MW203.63 g/mol
LogP2.49
Rot. Bonds

About 4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride

4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride (PubChem CID 18769922) has the molecular formula C7H13ClF3N and a molecular weight of 203.63 g/mol. Its IUPAC name is 4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
PubChem CID18769922
Molecular FormulaC7H13ClF3N
Molecular Weight203.63 g/mol
Exact Mass203.07
IUPAC Name4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H12F3N.ClH/c8-7(9,10)5-1-3-6(11)4-2-5;/h5-6H,1-4,11H2;1H
InChIKeyXGJNSCILISPYRX-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride (CID 18769922) is 4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride is Cl.NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is XGJNSCILISPYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N.ClH/c8-7(9,10)5-1-3-6(11)4-2-5;/h5-6H,1-4,11H2;1H.
What are the key properties of 4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 18769922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).