5-amino-2-(trifluoromethyl)cyclohex-2-en-1-ol

C7H10F3NO — CID 67554949

IUPAC5-amino-2-(trifluoromethyl)cyclohex-2-en-1-ol
SMILESNC1CC=C(C(F)(F)F)C(O)C1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)5-2-1-4(11)3-6(5)12/h2,4,6,12H,1,3,11H2
InChIKeyHBTYOJDYAWJDMP-UHFFFAOYSA-N
MW181.16 g/mol
LogP0.96
Rot. Bonds

About 5-amino-2-(trifluoromethyl)cyclohex-2-en-1-ol

5-amino-2-(trifluoromethyl)cyclohex-2-en-1-ol (PubChem CID 67554949) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 5-amino-2-(trifluoromethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name5-amino-2-(trifluoromethyl)cyclohex-2-en-1-ol
PubChem CID67554949
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name5-amino-2-(trifluoromethyl)cyclohex-2-en-1-ol
SMILESNC1CC=C(C(F)(F)F)C(O)C1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)5-2-1-4(11)3-6(5)12/h2,4,6,12H,1,3,11H2
InChIKeyHBTYOJDYAWJDMP-UHFFFAOYSA-N
XLogP0.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(trifluoromethyl)cyclohex-2-en-1-ol?
The IUPAC name of 5-amino-2-(trifluoromethyl)cyclohex-2-en-1-ol (CID 67554949) is 5-amino-2-(trifluoromethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 5-amino-2-(trifluoromethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 5-amino-2-(trifluoromethyl)cyclohex-2-en-1-ol is NC1CC=C(C(F)(F)F)C(O)C1.
What is the InChIKey of 5-amino-2-(trifluoromethyl)cyclohex-2-en-1-ol?
The InChIKey is HBTYOJDYAWJDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)5-2-1-4(11)3-6(5)12/h2,4,6,12H,1,3,11H2.
What are the key properties of 5-amino-2-(trifluoromethyl)cyclohex-2-en-1-ol?
5-amino-2-(trifluoromethyl)cyclohex-2-en-1-ol has a molecular weight of 181.16 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(trifluoromethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 67554949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).