3-cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol

C10H15F3O — CID 67968240

IUPAC3-cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(O)(CC1CC=CCC1)C(F)(F)F
InChIInChI=1S/C10H15F3O/c1-9(14,10(11,12)13)7-8-5-3-2-4-6-8/h2-3,8,14H,4-7H2,1H3
InChIKeyYBQLVIBPPIQPOR-UHFFFAOYSA-N
MW208.22 g/mol
LogP3.05
Rot. Bonds2

About 3-cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol

3-cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 67968240) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID67968240
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name3-cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(O)(CC1CC=CCC1)C(F)(F)F
InChIInChI=1S/C10H15F3O/c1-9(14,10(11,12)13)7-8-5-3-2-4-6-8/h2-3,8,14H,4-7H2,1H3
InChIKeyYBQLVIBPPIQPOR-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.05
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-cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of 3-cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol (CID 67968240) is 3-cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol is CC(O)(CC1CC=CCC1)C(F)(F)F.
What is the InChIKey of 3-cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is YBQLVIBPPIQPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O/c1-9(14,10(11,12)13)7-8-5-3-2-4-6-8/h2-3,8,14H,4-7H2,1H3.
What are the key properties of 3-cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol?
3-cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 208.22 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 67968240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).