ethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol

C12H23F3O — CID 164543702

IUPACethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol
SMILESCC.CC.CC1C=CC(O)(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3O.2C2H6/c1-6-2-4-7(12,5-3-6)8(9,10)11;2*1-2/h2,4,6,12H,3,5H2,1H3;2*1-2H3
InChIKeyJRNSBOGFINPARK-UHFFFAOYSA-N
MW240.31 g/mol
LogP4.32
Rot. Bonds

About ethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol

ethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol (PubChem CID 164543702) has the molecular formula C12H23F3O and a molecular weight of 240.31 g/mol. Its IUPAC name is ethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Nameethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol
PubChem CID164543702
Molecular FormulaC12H23F3O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Nameethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol
SMILESCC.CC.CC1C=CC(O)(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3O.2C2H6/c1-6-2-4-7(12,5-3-6)8(9,10)11;2*1-2/h2,4,6,12H,3,5H2,1H3;2*1-2H3
InChIKeyJRNSBOGFINPARK-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 54.32
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 ethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol?
The IUPAC name of ethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol (CID 164543702) is ethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for ethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol?
The canonical SMILES for ethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol is CC.CC.CC1C=CC(O)(C(F)(F)F)CC1.
What is the InChIKey of ethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol?
The InChIKey is JRNSBOGFINPARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O.2C2H6/c1-6-2-4-7(12,5-3-6)8(9,10)11;2*1-2/h2,4,6,12H,3,5H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol?
ethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol has a molecular weight of 240.31 g/mol, XLogP of 4.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 164543702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).