cyclohexanamine;2,2,2-trifluoroethanol

C8H16F3NO — CID 173402481

IUPACcyclohexanamine;2,2,2-trifluoroethanol
SMILESNC1CCCCC1.OCC(F)(F)F
InChIInChI=1S/C6H13N.C2H3F3O/c7-6-4-2-1-3-5-6;3-2(4,5)1-6/h6H,1-5,7H2;6H,1H2
InChIKeyCXFNAEAPEAVGPT-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.82
Rot. Bonds

About cyclohexanamine;2,2,2-trifluoroethanol

cyclohexanamine;2,2,2-trifluoroethanol (PubChem CID 173402481) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is cyclohexanamine;2,2,2-trifluoroethanol.

Molecular Properties

Compound Namecyclohexanamine;2,2,2-trifluoroethanol
PubChem CID173402481
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Namecyclohexanamine;2,2,2-trifluoroethanol
SMILESNC1CCCCC1.OCC(F)(F)F
InChIInChI=1S/C6H13N.C2H3F3O/c7-6-4-2-1-3-5-6;3-2(4,5)1-6/h6H,1-5,7H2;6H,1H2
InChIKeyCXFNAEAPEAVGPT-UHFFFAOYSA-N
XLogP1.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;2,2,2-trifluoroethanol?
The IUPAC name of cyclohexanamine;2,2,2-trifluoroethanol (CID 173402481) is cyclohexanamine;2,2,2-trifluoroethanol.
What is the SMILES notation for cyclohexanamine;2,2,2-trifluoroethanol?
The canonical SMILES for cyclohexanamine;2,2,2-trifluoroethanol is NC1CCCCC1.OCC(F)(F)F.
What is the InChIKey of cyclohexanamine;2,2,2-trifluoroethanol?
The InChIKey is CXFNAEAPEAVGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2H3F3O/c7-6-4-2-1-3-5-6;3-2(4,5)1-6/h6H,1-5,7H2;6H,1H2.
What are the key properties of cyclohexanamine;2,2,2-trifluoroethanol?
cyclohexanamine;2,2,2-trifluoroethanol has a molecular weight of 199.22 g/mol, XLogP of 1.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;2,2,2-trifluoroethanol is sourced from PubChem (CID 173402481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).