1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride

C8H15ClF3NO — CID 129247507

IUPAC1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride
SMILESCl.NC1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO.ClH/c9-8(10,11)7(13)5-1-3-6(12)4-2-5;/h5-7,13H,1-4,12H2;1H
InChIKeyMZEJEGWCUWUVNV-UHFFFAOYSA-N
MW233.66 g/mol
LogP1.85
Rot. Bonds1

About 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride

1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride (PubChem CID 129247507) has the molecular formula C8H15ClF3NO and a molecular weight of 233.66 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride
PubChem CID129247507
Molecular FormulaC8H15ClF3NO
Molecular Weight233.66 g/mol
Exact Mass233.08
IUPAC Name1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride
SMILESCl.NC1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO.ClH/c9-8(10,11)7(13)5-1-3-6(12)4-2-5;/h5-7,13H,1-4,12H2;1H
InChIKeyMZEJEGWCUWUVNV-UHFFFAOYSA-N
XLogP1.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride?
The IUPAC name of 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride (CID 129247507) is 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride.
What is the SMILES notation for 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride?
The canonical SMILES for 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride is Cl.NC1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride?
The InChIKey is MZEJEGWCUWUVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO.ClH/c9-8(10,11)7(13)5-1-3-6(12)4-2-5;/h5-7,13H,1-4,12H2;1H.
What are the key properties of 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride?
1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride has a molecular weight of 233.66 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol;hydrochloride is sourced from PubChem (CID 129247507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).