3-(trifluoromethyl)cyclohex-2-en-1-ol

C7H9F3O — CID 155213198

IUPAC3-(trifluoromethyl)cyclohex-2-en-1-ol
SMILESOC1C=C(C(F)(F)F)CCC1
InChIInChI=1S/C7H9F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h4,6,11H,1-3H2
InChIKeyJTBYYOGNVKUBNV-UHFFFAOYSA-N
MW166.14 g/mol
LogP2.02
Rot. Bonds

About 3-(trifluoromethyl)cyclohex-2-en-1-ol

3-(trifluoromethyl)cyclohex-2-en-1-ol (PubChem CID 155213198) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)cyclohex-2-en-1-ol
PubChem CID155213198
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name3-(trifluoromethyl)cyclohex-2-en-1-ol
SMILESOC1C=C(C(F)(F)F)CCC1
InChIInChI=1S/C7H9F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h4,6,11H,1-3H2
InChIKeyJTBYYOGNVKUBNV-UHFFFAOYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-(trifluoromethyl)cyclohex-2-en-1-ol?
The IUPAC name of 3-(trifluoromethyl)cyclohex-2-en-1-ol (CID 155213198) is 3-(trifluoromethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 3-(trifluoromethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 3-(trifluoromethyl)cyclohex-2-en-1-ol is OC1C=C(C(F)(F)F)CCC1.
What is the InChIKey of 3-(trifluoromethyl)cyclohex-2-en-1-ol?
The InChIKey is JTBYYOGNVKUBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h4,6,11H,1-3H2.
What are the key properties of 3-(trifluoromethyl)cyclohex-2-en-1-ol?
3-(trifluoromethyl)cyclohex-2-en-1-ol has a molecular weight of 166.14 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 155213198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).