4-cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol

C10H12F6O — CID 88918236

IUPAC4-cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
SMILESOC(CCC1C=CCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6O/c11-9(12,13)8(17,10(14,15)16)6-5-7-3-1-2-4-7/h1,3,7,17H,2,4-6H2
InChIKeyCAICCJFHROHCCA-UHFFFAOYSA-N
MW262.19 g/mol
LogP3.59
Rot. Bonds3

About 4-cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol

4-cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol (PubChem CID 88918236) has the molecular formula C10H12F6O and a molecular weight of 262.19 g/mol. Its IUPAC name is 4-cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name4-cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
PubChem CID88918236
Molecular FormulaC10H12F6O
Molecular Weight262.19 g/mol
Exact Mass262.08
IUPAC Name4-cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
SMILESOC(CCC1C=CCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6O/c11-9(12,13)8(17,10(14,15)16)6-5-7-3-1-2-4-7/h1,3,7,17H,2,4-6H2
InChIKeyCAICCJFHROHCCA-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 53.59
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 4-cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of 4-cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol (CID 88918236) is 4-cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 4-cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 4-cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol is OC(CCC1C=CCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The InChIKey is CAICCJFHROHCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6O/c11-9(12,13)8(17,10(14,15)16)6-5-7-3-1-2-4-7/h1,3,7,17H,2,4-6H2.
What are the key properties of 4-cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
4-cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol has a molecular weight of 262.19 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 88918236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).