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

C7H9F3O — CID 66596130

IUPAC1-(trifluoromethyl)cyclohex-3-en-1-ol
SMILESOC1(C(F)(F)F)CC=CCC1
InChIInChI=1S/C7H9F3O/c8-7(9,10)6(11)4-2-1-3-5-6/h1-2,11H,3-5H2
InChIKeyRTCKOKLDZBGSNU-UHFFFAOYSA-N
MW166.14 g/mol
LogP2.02
Rot. Bonds

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

1-(trifluoromethyl)cyclohex-3-en-1-ol (PubChem CID 66596130) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclohex-3-en-1-ol
PubChem CID66596130
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name1-(trifluoromethyl)cyclohex-3-en-1-ol
SMILESOC1(C(F)(F)F)CC=CCC1
InChIInChI=1S/C7H9F3O/c8-7(9,10)6(11)4-2-1-3-5-6/h1-2,11H,3-5H2
InChIKeyRTCKOKLDZBGSNU-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 1-(trifluoromethyl)cyclohex-3-en-1-ol?
The IUPAC name of 1-(trifluoromethyl)cyclohex-3-en-1-ol (CID 66596130) is 1-(trifluoromethyl)cyclohex-3-en-1-ol.
What is the SMILES notation for 1-(trifluoromethyl)cyclohex-3-en-1-ol?
The canonical SMILES for 1-(trifluoromethyl)cyclohex-3-en-1-ol is OC1(C(F)(F)F)CC=CCC1.
What is the InChIKey of 1-(trifluoromethyl)cyclohex-3-en-1-ol?
The InChIKey is RTCKOKLDZBGSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c8-7(9,10)6(11)4-2-1-3-5-6/h1-2,11H,3-5H2.
What are the key properties of 1-(trifluoromethyl)cyclohex-3-en-1-ol?
1-(trifluoromethyl)cyclohex-3-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 1-(trifluoromethyl)cyclohex-3-en-1-ol is sourced from PubChem (CID 66596130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).