[3-hydroxy-3-(trifluoromethyl)cyclohexyl]azanium

C7H13F3NO+ — CID 75844359

IUPAC[3-hydroxy-3-(trifluoromethyl)cyclohexyl]azanium
SMILES[NH3+]C1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(12)3-1-2-5(11)4-6/h5,12H,1-4,11H2/p+1
InChIKeyIJUVZQHBPFIBHU-UHFFFAOYSA-O
MW184.18 g/mol
LogP0.46
Rot. Bonds

About [3-hydroxy-3-(trifluoromethyl)cyclohexyl]azanium

[3-hydroxy-3-(trifluoromethyl)cyclohexyl]azanium (PubChem CID 75844359) has the molecular formula C7H13F3NO+ and a molecular weight of 184.18 g/mol. Its IUPAC name is [3-hydroxy-3-(trifluoromethyl)cyclohexyl]azanium.

Molecular Properties

Compound Name[3-hydroxy-3-(trifluoromethyl)cyclohexyl]azanium
PubChem CID75844359
Molecular FormulaC7H13F3NO+
Molecular Weight184.18 g/mol
Exact Mass184.09
IUPAC Name[3-hydroxy-3-(trifluoromethyl)cyclohexyl]azanium
SMILES[NH3+]C1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(12)3-1-2-5(11)4-6/h5,12H,1-4,11H2/p+1
InChIKeyIJUVZQHBPFIBHU-UHFFFAOYSA-O
XLogP0.46
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(trifluoromethyl)cyclohexyl]azanium?
The IUPAC name of [3-hydroxy-3-(trifluoromethyl)cyclohexyl]azanium (CID 75844359) is [3-hydroxy-3-(trifluoromethyl)cyclohexyl]azanium.
What is the SMILES notation for [3-hydroxy-3-(trifluoromethyl)cyclohexyl]azanium?
The canonical SMILES for [3-hydroxy-3-(trifluoromethyl)cyclohexyl]azanium is [NH3+]C1CCCC(O)(C(F)(F)F)C1.
What is the InChIKey of [3-hydroxy-3-(trifluoromethyl)cyclohexyl]azanium?
The InChIKey is IJUVZQHBPFIBHU-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)6(12)3-1-2-5(11)4-6/h5,12H,1-4,11H2/p+1.
What are the key properties of [3-hydroxy-3-(trifluoromethyl)cyclohexyl]azanium?
[3-hydroxy-3-(trifluoromethyl)cyclohexyl]azanium has a molecular weight of 184.18 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(trifluoromethyl)cyclohexyl]azanium is sourced from PubChem (CID 75844359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).