1-(cyclohexen-1-yl)-2,2,2-trifluoroethanol

C8H11F3O — CID 62078057

IUPAC1-(cyclohexen-1-yl)-2,2,2-trifluoroethanol
SMILESOC(C1=CCCCC1)C(F)(F)F
InChIInChI=1S/C8H11F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h4,7,12H,1-3,5H2
InChIKeyHYPXLYNEOXWDTC-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.41
Rot. Bonds1

About 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanol

1-(cyclohexen-1-yl)-2,2,2-trifluoroethanol (PubChem CID 62078057) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2,2,2-trifluoroethanol
PubChem CID62078057
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name1-(cyclohexen-1-yl)-2,2,2-trifluoroethanol
SMILESOC(C1=CCCCC1)C(F)(F)F
InChIInChI=1S/C8H11F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h4,7,12H,1-3,5H2
InChIKeyHYPXLYNEOXWDTC-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.41
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-(cyclohexen-1-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanol (CID 62078057) is 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanol is OC(C1=CCCCC1)C(F)(F)F.
What is the InChIKey of 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanol?
The InChIKey is HYPXLYNEOXWDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h4,7,12H,1-3,5H2.
What are the key properties of 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanol?
1-(cyclohexen-1-yl)-2,2,2-trifluoroethanol has a molecular weight of 180.17 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 62078057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).